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Also known as: 330786-24-8, 4-amino-3-(4-phenoxyphenyl)-1h-pyrazolo[3,4-d]pyrimidine, Ibrutinib n-2, Ibrutinib deacryloylpiperidine, 3-(4-phenoxyphenyl)-2h-pyrazolo[3,4-d]pyrimidin-4-amine, Mfcd20270360
Molecular Formula
C17H13N5O
Molecular Weight
303.32  g/mol
InChI Key
YYVUOZULIDAKRN-UHFFFAOYSA-N

CAS 330786-24-8
1 2D Structure

CAS 330786-24-8

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
3-(4-phenoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine
2.1.2 InChI
InChI=1S/C17H13N5O/c18-16-14-15(21-22-17(14)20-10-19-16)11-6-8-13(9-7-11)23-12-4-2-1-3-5-12/h1-10H,(H3,18,19,20,21,22)
2.1.3 InChI Key
YYVUOZULIDAKRN-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CC=C(C=C1)OC2=CC=C(C=C2)C3=C4C(=NC=NC4=NN3)N
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 330786-24-8

2. 4-amino-3-(4-phenoxyphenyl)-1h-pyrazolo[3,4-d]pyrimidine

3. Ibrutinib N-2

4. Ibrutinib Deacryloylpiperidine

5. 3-(4-phenoxyphenyl)-2h-pyrazolo[3,4-d]pyrimidin-4-amine

6. Mfcd20270360

7. 1h-pyrazolo[3,4-d]pyrimidin-4-amine, 3-(4-phenoxyphenyl)-

8. Ibrutinib Impurity 8

9. Ibt4a

10. 3-[4-phenoxyphenyl]pyrazole

11. Schembl200349

12. Chembl1242204

13. Bcp08092

14. Cs-m2418

15. Zinc64527573

16. Akos024464512

17. Akos032949962

18. Ds-7365

19. Sb74532

20. 3-(4-phenoxy-phenyl)-1(2)h-pyrazole

21. Ac-28742

22. Da-25126

23. Hy-78727

24. Sy032999

25. Ft-0696694

26. A852276

27. Z2753057767

28. 4-amino-3-(4-phenoxyphenyl)-1h-pyrazolo[3,4-d]pyrimidine; 3-(4-phenoxyphenyl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine

2.3 Create Date
2007-12-05
3 Chemical and Physical Properties
Molecular Weight 303.32 g/mol
Molecular Formula C17H13N5O
XLogP33
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass303.11201006 g/mol
Monoisotopic Mass303.11201006 g/mol
Topological Polar Surface Area89.7 Ų
Heavy Atom Count23
Formal Charge0
Complexity381
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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01

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Virtual BoothAarti Pharmalabs is a partner of choice for APIs & Intermediates and the largest Indian manufacturer of Xanthine Derivatives.

3-(4-Phenoxy Phenyl)-1H-pyrazole [3,4-d] pyrimidin...

CAS Number : 330786-24-8

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About the Company : Aarti Pharmalab, earlier the pharma division of Aarti Industries, is a leading Indian manufacturer of APIs. It has dedicated facilities to manufacture HPAPIs, corticosteroids, cytotoxic...

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02

  • fda
  • EDQM
  • WHO-GMP

Virtual BoothJinan Tantu Chemicals offers customized R&D services & production of small molecule APIs & pharmaceutical intermediates.

3-(4-Phenoxyphenyl)-1H- pyrazole and [3,4- d] pyri...

CAS Number : 330786-24-8

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About the Company : Jinan Tantu Chemicals Co., Ltd. operates as a Contract Development and Manufacturing Organization (CDMO) that serves pharmaceutical companies worldwide. Our core services include custom...

Jinan Tantu Chemicals

03

BIO Asia-Taiwan
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Ibrutinib N-2

CAS Number : 330786-24-8

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About the Company : Anhui Haikang Pharmaceutical Co., Ltd. was established in 2009 and located in a High-tech industry park, Anqing City, Anhui Province---a famous historical and cultural city in China, ad...

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3-(4-Phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-...

CAS Number : 330786-24-8

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About the Company : We are into manufacturing of bulk drug Intermediates and Active Pharmaceutical Ingredients (API). Our core competence is contract manufacturing for our clients who are looking for manuf...

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4-Amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyri...

CAS Number : 330786-24-8

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About the Company : Bulat Pharmaceutical is a fast growing pharmaceutical company, founded in the year 2017, Bulat Pharmaceutical is engaged in the manufacturing and sales of high quality APIs and Intermed...

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5-(4-phenoxyphenyl)-7h-pyrrolo[2,3-d]pyrimidin-4-y...

CAS Number : 330786-24-8

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About the Company : Nanjing Lift Pharmaceutical is a specialized company concentrating on the R&D, production, marketing and technical service of APIs, pharmaceutical intermediates and specialty chemicals....

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Royal Pharma

India
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5-Amino-3-(4-phenoxyphenyl)-1H-pyrazole-4-carbonit...

CAS Number : 330786-24-8

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About the Company : Royal pharma was started in 2007 – it’s a small scale Advanced Intermediates Manufacturing company. Facilities are in accordance to GMP standards. Currently working with Indian Mult...

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SS Pharma

India
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3-(4-Phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-...

CAS Number : 330786-24-8

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About the Company : SS Pharmaceutical develops and manufactures active pharmaceutical ingredients (APIs), registered pharma intermediates, fine chemicals and pyridine derivatives for the domestic as well a...

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3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-...

CAS Number : 330786-24-8

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About the Company : VIDGAS is dedicated to delivering the highest quality SFC and HPLC purification and isolation solutions to clients across the pharmaceutical, biopharmaceutical, agrochemical, food, and ...

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