CAS 866084-31-3

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2 End Use APIs
44 Related Intermediates

Chemistry

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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