CAS 866084-31-3

Chemistry, 2 End Use API, 45 Related Intermediates

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Also known as: 866084-31-3, 4-[6-[[6-(1-butoxyvinyl)-8-cyclopentyl-5-methyl-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-2-yl]amino]pyridin-3-yl]piperazine-1-carboxylic acid tert-butyl ester, Tert-butyl 4-[6-[[6-(1-butoxyethenyl)-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]pyridin-3-yl]piperazine-1-carboxylate, 4-[6-[6-(1-butoxy-vinyl)-8-cyclopentyl-5-methyl-7-oxo-7,8-dihydro-pyrido[2,3-d]pyrimidin-2-ylamino]-pyridin-3-yl]-piperazine-1-carboxylic acid tert-butyl ester, 4-{6-[6-(1-butoxy-vinyl)-8-cyclopentyl-5-methyl-7-oxo-7,8-dihydro-pyrido[2,3-d]pyrimidin-2-ylamino]-pyridin-3-yl}-piperazine-1-carboxylic acid tert-butyl ester, Schembl2076205

Molecular Formula

C₃₃H₄₅N₇O₄

Molecular Weight

603.8 g/mol

InChI Key

SCWKOLRZBMGTNT-UHFFFAOYSA-N

1 2D Structure

CAS 866084-31-3

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

tert-butyl 4-[6-[[6-(1-butoxyethenyl)-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]pyridin-3-yl]piperazine-1-carboxylate

2.1.2 InChI

InChI=1S/C33H45N7O4/c1-7-8-19-43-23(3)28-22(2)26-21-35-31(37-29(26)40(30(28)41)24-11-9-10-12-24)36-27-14-13-25(20-34-27)38-15-17-39(18-16-38)32(42)44-33(4,5)6/h13-14,20-21,24H,3,7-12,15-19H2,1-2,4-6H3,(H,34,35,36,37)

2.1.3 InChI Key

SCWKOLRZBMGTNT-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCCCOC(=C)C1=C(C2=CN=C(N=C2N(C1=O)C3CCCC3)NC4=NC=C(C=C4)N5CCN(CC5)C(=O)OC(C)(C)C)C

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 866084-31-3

2. 4-[6-[[6-(1-butoxyvinyl)-8-cyclopentyl-5-methyl-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-2-yl]amino]pyridin-3-yl]piperazine-1-carboxylic Acid Tert-butyl Ester

3. Tert-butyl 4-[6-[[6-(1-butoxyethenyl)-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]pyridin-3-yl]piperazine-1-carboxylate

4. 4-[6-[6-(1-butoxy-vinyl)-8-cyclopentyl-5-methyl-7-oxo-7,8-dihydro-pyrido[2,3-d]pyrimidin-2-ylamino]-pyridin-3-yl]-piperazine-1-carboxylic Acid Tert-butyl Ester

5. 4-{6-[6-(1-butoxy-vinyl)-8-cyclopentyl-5-methyl-7-oxo-7,8-dihydro-pyrido[2,3-d]pyrimidin-2-ylamino]-pyridin-3-yl}-piperazine-1-carboxylic Acid Tert-butyl Ester

6. Schembl2076205

7. Scwkolrzbmgtnt-uhfffaoysa-n

8. Amy16691

9. Bcp15574

10. Cs-m0541

11. Mfcd28978558

12. Cs-w004355

13. Ac-33717

14. Ds-19152

15. C11197

16. A863109

17. Tert-butyl 4-(6-((6-(1-butoxyvinyl)-8-cyclopentyl-5-methyl-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-2-yl)amino)pyridin-3-yl)piperazine-1-car

18. Tert-butyl4-(6-((6-(1-butoxyvinyl)-8-cyclopentyl-5-methyl-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-2-yl)amino)pyridin-3-yl)piperazine-1-carboxylate

2.3 Create Date

2009-11-09

3 Chemical and Physical Properties

Molecular Formula	C₃₃H₄₅N₇O₄
Molecular Weight	603.8 g/mol
XLogP3	5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	11
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	113
Heavy Atom Count	44
Formal Charge	0
Complexity	1060
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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Shandong Boyuan Pharmaceutical

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CAS Number

866084-31-3

Intermediate Name

4-[6-[[6-(1-Butoxyvinyl)-8-cyclopen...

About the Company

We are one of the well-known manufacturers of key APIs & intermediates in China, with 20 years of experie...

We are one of the well-known manufacturers of key APIs & intermediates in China, with 20 years of experience & presence in 20+ countries. At Boyuan, we are committed to providing high-quality products & services. Formerly known as “Jinan Boyuan Chemical Co., Ltd” & “Shandong Boyuan Chemical Co., Ltd.” Boyuan was founded in June 2001. We have 2 manufacturing plants in the cities of Jiyang & Yucheng in Shandong Province, China & both are in line with the GMP standard, following a strict quality system & conforming with international standards. Boyuan is dedicated to anti-cancer, anti-fungal & other APIs & intermediates associated.

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CAS Number

866084-31-3

Intermediate Name

tert-butyl 4-[6-[[6-(1-butoxyetheny...

About the Company

Fuan Pharmaceutical (Group) Co., Ltd. was established on February 25, 2004. The company is located in Cho...

Fuan Pharmaceutical (Group) Co., Ltd. was established on February 25, 2004. The company is located in Chongqing Changshou Economic and Technological Development Zone, covering an area of about 100 acres, a construction area of over 30,000 square meters, and a registered capital of 1.189 billion yuan. It is the first company in Changshou Economic and Technological Development Zone successfully listed on the Shenzhen GEM (March 22, 2011, stock code: 300194). The company has 9 wholly-owned and holding subsidiaries. In March 2008, Fuan Pharmaceutical Group Chongqing Lybon Pharm-Tech Co

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