Octanex Labs | CAS 477600-73-0 | Related Intermediates | Manufacturers & Suppliers

CAS 477600-73-0

Chemistry, 3 End Use API, 59 Related Intermediates

Manufacturers/Suppliers

4 Suppliers

4 Suppliers

Also known as: 477600-73-0, N-[(3r,4r)-1-benzyl-4-methylpiperidin-3-yl]-n-methyl-7h-pyrrolo[2,3-d]pyrimidin-4-amine, Tofacitinib benzyl analog, 7h-pyrrolo[2,3-d]pyrimidin-4-amine, n-methyl-n-[(3r,4r)-4-methyl-1-(phenylmethyl)-3-piperidinyl]-, Chembl2152298, K35a6384qd

Molecular Formula

C₂₀H₂₅N₅

Molecular Weight

335.4 g/mol

InChI Key

UMWNXPTXDOVDFE-QAPCUYQASA-N

FDA UNII

K35A6384QD

1 2D Structure

CAS 477600-73-0

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

N-[(3R,4R)-1-benzyl-4-methylpiperidin-3-yl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine

2.1.2 InChI

InChI=1S/C20H25N5/c1-15-9-11-25(12-16-6-4-3-5-7-16)13-18(15)24(2)20-17-8-10-21-19(17)22-14-23-20/h3-8,10,14-15,18H,9,11-13H2,1-2H3,(H,21,22,23)/t15-,18+/m1/s1

2.1.3 InChI Key

UMWNXPTXDOVDFE-QAPCUYQASA-N

2.1.4 Canonical SMILES

CC1CCN(CC1N(C)C2=NC=NC3=C2C=CN3)CC4=CC=CC=C4

2.1.5 Isomeric SMILES

C[C@@H]1CCN(C[C@@H]1N(C)C2=NC=NC3=C2C=CN3)CC4=CC=CC=C4

2.2 Other Identifiers

2.2.1 UNII

K35A6384QD

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 477600-73-0

2. N-[(3r,4r)-1-benzyl-4-methylpiperidin-3-yl]-n-methyl-7h-pyrrolo[2,3-d]pyrimidin-4-amine

3. Tofacitinib Benzyl Analog

4. 7h-pyrrolo[2,3-d]pyrimidin-4-amine, N-methyl-n-[(3r,4r)-4-methyl-1-(phenylmethyl)-3-piperidinyl]-

5. Chembl2152298

6. K35a6384qd

7. Des-(n-oxopropanenitrile)-n-methylbenzyl Cp-690550

8. Tofacitinib Des-(n-oxopropanenitrile)-n-methylbenzyl

9. N-((3r,4r)-1-benzyl-4-methylpiperidin-3-yl)-n-methyl-7h-pyrrolo(2,3-d)pyrimidin-4-amine

10. N-[(3r,4r)-1-benzyl-4-methyl-3-piperidyl]-n-methyl-7h-pyrrolo[2,3-d]pyrimidin-4-amine

11. 7h-pyrrolo(2,3-d)pyrimidin-4-amine, N-methyl-n-((3r,4r)-4-methyl-1-(phenylmethyl)-3-piperidinyl)-

12. 1h-pyrrolo[2,3-d]pyrimidin-4-amine,n-methyl-n-[(3r,4r)-4-methyl-1-(phenylmethyl)-3-piperidinyl]-

13. Unii-k35a6384qd

14. Schembl1120769

15. Dtxsid30678791

16. Amy22112

17. Cua60073

18. Bdbm50391994

19. Mfcd16877475

20. Zinc38847049

21. (3r,4r)-(1-benzyl-4-methyl-piperidin-3-yl)-methyl-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)-amine

22. Ac-29725

23. Ds-17205

24. C75274

25. (3r,4r)-(1-benzyl-4-methyl-piperidin-3yl)-methyl-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)amine

26. [(3r,4r)-1-benzyl-4-methyl-piperidin-3-yl]-methyl-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)-amine

27. N-methyl-n-((3r,4r)-4-methyl-1-(phenylmethyl)-3-piperidinyl)-7h-pyrrolo[2,3-d]pyrimidin-4-amine

2.4 Create Date

2011-02-14

3 Chemical and Physical Properties

Molecular Formula	C₂₀H₂₅N₅
Molecular Weight	335.4 g/mol
XLogP3	3.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	335.21099582 g/mol
Monoisotopic Mass	335.21099582 g/mol
Topological Polar Surface Area	48 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	424
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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4-Chloro-7-tosyl-7H-pyrrolo[2,3-d]pyrimidine

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CAS Number

479633-63-1

End Use API

Tofacitinib Citrate

About the Company

OctaneX Labs is a leading intermediates and Active Pharmaceutical Ingredients (API) manufacturing company...

OctaneX Labs is a leading intermediates and Active Pharmaceutical Ingredients (API) manufacturing company specializing in the development of innovative processes for the synthesis of a wide range of products. We also undertake custom pharmaceutical services and contract Research Synthesis. We are commited to create better quality of life by being at the forefront of research, manufacturing and marketing of high quality API'S.As a growing organization, we are aware that we can’t achieve our goals singly. We collaborate and work in unison with a large number of reputed and like-minded partners

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