8-(4-aminocyclohexyl)-6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-[[(3R)-oxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one;8-(4-aminocyclohexyl)-6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-[[(3S)-oxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-[2-(dimethylamino)ethyl]-2-[[(3S)-oxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-(1-methylpiperidin-4-yl)-2-[[(3R)-oxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-(1-methylpiperidin-4-yl)-2-[[(3S)-oxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-[[(3R)-oxolan-3-yl]amino]-8-piperidin-4-ylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-[[(3S)-oxolan-3-yl]amino]-8-piperidin-4-ylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-[[(3R)-oxolan-3-yl]amino]-8-(2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one

C228H242Cl8N48O16 — CID 157456827

IUPAC8-(4-aminocyclohexyl)-6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-[[(3R)-oxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one;8-(4-aminocyclohexyl)-6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-[[(3S)-oxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-[2-(dimethylamino)ethyl]-2-[[(3S)-oxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-(1-methylpiperidin-4-yl)-2-[[(3R)-oxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-(1-methylpiperidin-4-yl)-2-[[(3S)-oxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-[[(3R)-oxolan-3-yl]amino]-8-piperidin-4-ylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-[[(3S)-oxolan-3-yl]amino]-8-piperidin-4-ylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-[[(3R)-oxolan-3-yl]amino]-8-(2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one
SMILESCc1cccc(-c2ccc(-c3cc4cnc(N[C@@H]5CCOC5)nc4n(C4CCC(N)CC4)c3=O)c(Cl)c2)n1.Cc1cccc(-c2ccc(-c3cc4cnc(N[C@@H]5CCOC5)nc4n(C4CCN(C)CC4)c3=O)c(Cl)c2)n1.Cc1cccc(-c2ccc(-c3cc4cnc(N[C@@H]5CCOC5)nc4n(C4CCNCC4)c3=O)c(Cl)c2)n1.Cc1cccc(-c2ccc(-c3cc4cnc(N[C@@H]5CCOC5)nc4n(CCN4CCCC4)c3=O)c(Cl)c2)n1.Cc1cccc(-c2ccc(-c3cc4cnc(N[C@H]5CCOC5)nc4n(C4CCC(N)CC4)c3=O)c(Cl)c2)n1.Cc1cccc(-c2ccc(-c3cc4cnc(N[C@H]5CCOC5)nc4n(C4CCN(C)CC4)c3=O)c(Cl)c2)n1.Cc1cccc(-c2ccc(-c3cc4cnc(N[C@H]5CCOC5)nc4n(C4CCNCC4)c3=O)c(Cl)c2)n1.Cc1cccc(-c2ccc(-c3cc4cnc(N[C@H]5CCOC5)nc4n(CCN(C)C)c3=O)c(Cl)c2)n1
InChIInChI=1S/5C29H31ClN6O2.2C28H29ClN6O2.C27H29ClN6O2/c2*1-18-4-3-5-26(32-18)19-6-7-23(25(30)15-19)24-14-20-16-31-29(33-21-10-13-38-17-21)34-27(20)36(28(24)37)22-8-11-35(2)12-9-22;1-19-5-4-6-26(32-19)20-7-8-23(25(30)16-20)24-15-21-17-31-29(33-22-9-14-38-18-22)34-27(21)36(28(24)37)13-12-35-10-2-3-11-35;2*1-17-3-2-4-26(33-17)18-5-10-23(25(30)14-18)24-13-19-15-32-29(34-21-11-12-38-16-21)35-27(19)36(28(24)37)22-8-6-20(31)7-9-22;2*1-17-3-2-4-25(32-17)18-5-6-22(24(29)14-18)23-13-19-15-31-28(33-20-9-12-37-16-20)34-26(19)35(27(23)36)21-7-10-30-11-8-21;1-17-5-4-6-24(30-17)18-7-8-21(23(28)14-18)22-13-19-15-29-27(31-20-9-12-36-16-20)32-25(19)34(26(22)35)11-10-33(2)3/h2*3-7,14-16,21-22H,8-13,17H2,1-2H3,(H,31,33,34);4-8,15-17,22H,2-3,9-14,18H2,1H3,(H,31,33,34);2*2-5,10,13-15,20-22H,6-9,11-12,16,31H2,1H3,(H,32,34,35);2*2-6,13-15,20-21,30H,7-12,16H2,1H3,(H,31,33,34);4-8,13-15,20H,9-12,16H2,1-3H3,(H,29,31,32)/t2*21-;22-;2*20?,21-,22?;3*20-/m10110100/s1
InChIKeyBTLNUPJPFFMCMC-HCEZIMACSA-N
MW4194.39 g/mol
LogP38.39
Rot. Bonds44

About 8-(4-aminocyclohexyl)-6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-[[(3R)-oxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one;8-(4-aminocyclohexyl)-6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-[[(3S)-oxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-[2-(dimethylamino)ethyl]-2-[[(3S)-oxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-(1-methylpiperidin-4-yl)-2-[[(3R)-oxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-(1-methylpiperidin-4-yl)-2-[[(3S)-oxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-[[(3R)-oxolan-3-yl]amino]-8-piperidin-4-ylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-[[(3S)-oxolan-3-yl]amino]-8-piperidin-4-ylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-[[(3R)-oxolan-3-yl]amino]-8-(2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one

8-(4-aminocyclohexyl)-6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-[[(3R)-oxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one;8-(4-aminocyclohexyl)-6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-[[(3S)-oxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-[2-(dimethylamino)ethyl]-2-[[(3S)-oxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-(1-methylpiperidin-4-yl)-2-[[(3R)-oxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-(1-methylpiperidin-4-yl)-2-[[(3S)-oxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-[[(3R)-oxolan-3-yl]amino]-8-piperidin-4-ylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-[[(3S)-oxolan-3-yl]amino]-8-piperidin-4-ylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-[[(3R)-oxolan-3-yl]amino]-8-(2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 157456827) has the molecular formula C228H242Cl8N48O16 and a molecular weight of 4194.39 g/mol. Its IUPAC name is 8-(4-aminocyclohexyl)-6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-[[(3R)-oxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one;8-(4-aminocyclohexyl)-6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-[[(3S)-oxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-[2-(dimethylamino)ethyl]-2-[[(3S)-oxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-(1-methylpiperidin-4-yl)-2-[[(3R)-oxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-(1-methylpiperidin-4-yl)-2-[[(3S)-oxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-[[(3R)-oxolan-3-yl]amino]-8-piperidin-4-ylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-[[(3S)-oxolan-3-yl]amino]-8-piperidin-4-ylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-[[(3R)-oxolan-3-yl]amino]-8-(2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-(4-aminocyclohexyl)-6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-[[(3R)-oxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one;8-(4-aminocyclohexyl)-6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-[[(3S)-oxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-[2-(dimethylamino)ethyl]-2-[[(3S)-oxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-(1-methylpiperidin-4-yl)-2-[[(3R)-oxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-(1-methylpiperidin-4-yl)-2-[[(3S)-oxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-[[(3R)-oxolan-3-yl]amino]-8-piperidin-4-ylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-[[(3S)-oxolan-3-yl]amino]-8-piperidin-4-ylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-[[(3R)-oxolan-3-yl]amino]-8-(2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one
PubChem CID157456827
Molecular FormulaC228H242Cl8N48O16
Molecular Weight4194.39 g/mol
Exact Mass4187.71
IUPAC Name8-(4-aminocyclohexyl)-6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-[[(3R)-oxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one;8-(4-aminocyclohexyl)-6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-[[(3S)-oxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-[2-(dimethylamino)ethyl]-2-[[(3S)-oxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-(1-methylpiperidin-4-yl)-2-[[(3R)-oxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-(1-methylpiperidin-4-yl)-2-[[(3S)-oxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-[[(3R)-oxolan-3-yl]amino]-8-piperidin-4-ylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-[[(3S)-oxolan-3-yl]amino]-8-piperidin-4-ylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-[[(3R)-oxolan-3-yl]amino]-8-(2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one
SMILESCc1cccc(-c2ccc(-c3cc4cnc(N[C@@H]5CCOC5)nc4n(C4CCC(N)CC4)c3=O)c(Cl)c2)n1.Cc1cccc(-c2ccc(-c3cc4cnc(N[C@@H]5CCOC5)nc4n(C4CCN(C)CC4)c3=O)c(Cl)c2)n1.Cc1cccc(-c2ccc(-c3cc4cnc(N[C@@H]5CCOC5)nc4n(C4CCNCC4)c3=O)c(Cl)c2)n1.Cc1cccc(-c2ccc(-c3cc4cnc(N[C@@H]5CCOC5)nc4n(CCN4CCCC4)c3=O)c(Cl)c2)n1.Cc1cccc(-c2ccc(-c3cc4cnc(N[C@H]5CCOC5)nc4n(C4CCC(N)CC4)c3=O)c(Cl)c2)n1.Cc1cccc(-c2ccc(-c3cc4cnc(N[C@H]5CCOC5)nc4n(C4CCN(C)CC4)c3=O)c(Cl)c2)n1.Cc1cccc(-c2ccc(-c3cc4cnc(N[C@H]5CCOC5)nc4n(C4CCNCC4)c3=O)c(Cl)c2)n1.Cc1cccc(-c2ccc(-c3cc4cnc(N[C@H]5CCOC5)nc4n(CCN(C)C)c3=O)c(Cl)c2)n1
InChIInChI=1S/5C29H31ClN6O2.2C28H29ClN6O2.C27H29ClN6O2/c2*1-18-4-3-5-26(32-18)19-6-7-23(25(30)15-19)24-14-20-16-31-29(33-21-10-13-38-17-21)34-27(20)36(28(24)37)22-8-11-35(2)12-9-22;1-19-5-4-6-26(32-19)20-7-8-23(25(30)16-20)24-15-21-17-31-29(33-22-9-14-38-18-22)34-27(21)36(28(24)37)13-12-35-10-2-3-11-35;2*1-17-3-2-4-26(33-17)18-5-10-23(25(30)14-18)24-13-19-15-32-29(34-21-11-12-38-16-21)35-27(19)36(28(24)37)22-8-6-20(31)7-9-22;2*1-17-3-2-4-25(32-17)18-5-6-22(24(29)14-18)23-13-19-15-31-28(33-20-9-12-37-16-20)34-26(19)35(27(23)36)21-7-10-30-11-8-21;1-17-5-4-6-24(30-17)18-7-8-21(23(28)14-18)22-13-19-15-29-27(31-20-9-12-36-16-20)32-25(19)34(26(22)35)11-10-33(2)3/h2*3-7,14-16,21-22H,8-13,17H2,1-2H3,(H,31,33,34);4-8,15-17,22H,2-3,9-14,18H2,1H3,(H,31,33,34);2*2-5,10,13-15,20-22H,6-9,11-12,16,31H2,1H3,(H,32,34,35);2*2-6,13-15,20-21,30H,7-12,16H2,1H3,(H,31,33,34);4-8,13-15,20H,9-12,16H2,1-3H3,(H,29,31,32)/t2*21-;22-;2*20?,21-,22?;3*20-/m10110100/s1
InChIKeyBTLNUPJPFFMCMC-HCEZIMACSA-N
XLogP38.39
TPSA744.50 Ų
H-Bond Donors12
H-Bond Acceptors64
Rotatable Bonds44
Heavy Atoms300
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004194.39
LogP ≤ 538.39
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1064

Analyze 8-(4-aminocyclohexyl)-6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-[[(3R)-oxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one;8-(4-aminocyclohexyl)-6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-[[(3S)-oxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-[2-(dimethylamino)ethyl]-2-[[(3S)-oxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-(1-methylpiperidin-4-yl)-2-[[(3R)-oxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-(1-methylpiperidin-4-yl)-2-[[(3S)-oxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-[[(3R)-oxolan-3-yl]amino]-8-piperidin-4-ylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-[[(3S)-oxolan-3-yl]amino]-8-piperidin-4-ylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-[[(3R)-oxolan-3-yl]amino]-8-(2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-(4-aminocyclohexyl)-6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-[[(3R)-oxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one;8-(4-aminocyclohexyl)-6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-[[(3S)-oxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-[2-(dimethylamino)ethyl]-2-[[(3S)-oxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-(1-methylpiperidin-4-yl)-2-[[(3R)-oxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-(1-methylpiperidin-4-yl)-2-[[(3S)-oxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-[[(3R)-oxolan-3-yl]amino]-8-piperidin-4-ylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-[[(3S)-oxolan-3-yl]amino]-8-piperidin-4-ylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-[[(3R)-oxolan-3-yl]amino]-8-(2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-(4-aminocyclohexyl)-6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-[[(3R)-oxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one;8-(4-aminocyclohexyl)-6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-[[(3S)-oxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-[2-(dimethylamino)ethyl]-2-[[(3S)-oxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-(1-methylpiperidin-4-yl)-2-[[(3R)-oxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-(1-methylpiperidin-4-yl)-2-[[(3S)-oxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-[[(3R)-oxolan-3-yl]amino]-8-piperidin-4-ylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-[[(3S)-oxolan-3-yl]amino]-8-piperidin-4-ylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-[[(3R)-oxolan-3-yl]amino]-8-(2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one (CID 157456827) is 8-(4-aminocyclohexyl)-6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-[[(3R)-oxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one;8-(4-aminocyclohexyl)-6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-[[(3S)-oxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-[2-(dimethylamino)ethyl]-2-[[(3S)-oxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-(1-methylpiperidin-4-yl)-2-[[(3R)-oxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-(1-methylpiperidin-4-yl)-2-[[(3S)-oxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-[[(3R)-oxolan-3-yl]amino]-8-piperidin-4-ylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-[[(3S)-oxolan-3-yl]amino]-8-piperidin-4-ylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-[[(3R)-oxolan-3-yl]amino]-8-(2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-(4-aminocyclohexyl)-6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-[[(3R)-oxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one;8-(4-aminocyclohexyl)-6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-[[(3S)-oxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-[2-(dimethylamino)ethyl]-2-[[(3S)-oxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-(1-methylpiperidin-4-yl)-2-[[(3R)-oxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-(1-methylpiperidin-4-yl)-2-[[(3S)-oxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-[[(3R)-oxolan-3-yl]amino]-8-piperidin-4-ylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-[[(3S)-oxolan-3-yl]amino]-8-piperidin-4-ylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-[[(3R)-oxolan-3-yl]amino]-8-(2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-(4-aminocyclohexyl)-6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-[[(3R)-oxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one;8-(4-aminocyclohexyl)-6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-[[(3S)-oxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-[2-(dimethylamino)ethyl]-2-[[(3S)-oxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-(1-methylpiperidin-4-yl)-2-[[(3R)-oxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-(1-methylpiperidin-4-yl)-2-[[(3S)-oxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-[[(3R)-oxolan-3-yl]amino]-8-piperidin-4-ylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-[[(3S)-oxolan-3-yl]amino]-8-piperidin-4-ylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-[[(3R)-oxolan-3-yl]amino]-8-(2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one is Cc1cccc(-c2ccc(-c3cc4cnc(N[C@@H]5CCOC5)nc4n(C4CCC(N)CC4)c3=O)c(Cl)c2)n1.Cc1cccc(-c2ccc(-c3cc4cnc(N[C@@H]5CCOC5)nc4n(C4CCN(C)CC4)c3=O)c(Cl)c2)n1.Cc1cccc(-c2ccc(-c3cc4cnc(N[C@@H]5CCOC5)nc4n(C4CCNCC4)c3=O)c(Cl)c2)n1.Cc1cccc(-c2ccc(-c3cc4cnc(N[C@@H]5CCOC5)nc4n(CCN4CCCC4)c3=O)c(Cl)c2)n1.Cc1cccc(-c2ccc(-c3cc4cnc(N[C@H]5CCOC5)nc4n(C4CCC(N)CC4)c3=O)c(Cl)c2)n1.Cc1cccc(-c2ccc(-c3cc4cnc(N[C@H]5CCOC5)nc4n(C4CCN(C)CC4)c3=O)c(Cl)c2)n1.Cc1cccc(-c2ccc(-c3cc4cnc(N[C@H]5CCOC5)nc4n(C4CCNCC4)c3=O)c(Cl)c2)n1.Cc1cccc(-c2ccc(-c3cc4cnc(N[C@H]5CCOC5)nc4n(CCN(C)C)c3=O)c(Cl)c2)n1.
What is the InChIKey of 8-(4-aminocyclohexyl)-6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-[[(3R)-oxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one;8-(4-aminocyclohexyl)-6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-[[(3S)-oxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-[2-(dimethylamino)ethyl]-2-[[(3S)-oxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-(1-methylpiperidin-4-yl)-2-[[(3R)-oxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-(1-methylpiperidin-4-yl)-2-[[(3S)-oxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-[[(3R)-oxolan-3-yl]amino]-8-piperidin-4-ylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-[[(3S)-oxolan-3-yl]amino]-8-piperidin-4-ylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-[[(3R)-oxolan-3-yl]amino]-8-(2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is BTLNUPJPFFMCMC-HCEZIMACSA-N. The full InChI is InChI=1S/5C29H31ClN6O2.2C28H29ClN6O2.C27H29ClN6O2/c2*1-18-4-3-5-26(32-18)19-6-7-23(25(30)15-19)24-14-20-16-31-29(33-21-10-13-38-17-21)34-27(20)36(28(24)37)22-8-11-35(2)12-9-22;1-19-5-4-6-26(32-19)20-7-8-23(25(30)16-20)24-15-21-17-31-29(33-22-9-14-38-18-22)34-27(21)36(28(24)37)13-12-35-10-2-3-11-35;2*1-17-3-2-4-26(33-17)18-5-10-23(25(30)14-18)24-13-19-15-32-29(34-21-11-12-38-16-21)35-27(19)36(28(24)37)22-8-6-20(31)7-9-22;2*1-17-3-2-4-25(32-17)18-5-6-22(24(29)14-18)23-13-19-15-31-28(33-20-9-12-37-16-20)34-26(19)35(27(23)36)21-7-10-30-11-8-21;1-17-5-4-6-24(30-17)18-7-8-21(23(28)14-18)22-13-19-15-29-27(31-20-9-12-36-16-20)32-25(19)34(26(22)35)11-10-33(2)3/h2*3-7,14-16,21-22H,8-13,17H2,1-2H3,(H,31,33,34);4-8,15-17,22H,2-3,9-14,18H2,1H3,(H,31,33,34);2*2-5,10,13-15,20-22H,6-9,11-12,16,31H2,1H3,(H,32,34,35);2*2-6,13-15,20-21,30H,7-12,16H2,1H3,(H,31,33,34);4-8,13-15,20H,9-12,16H2,1-3H3,(H,29,31,32)/t2*21-;22-;2*20?,21-,22?;3*20-/m10110100/s1.
What are the key properties of 8-(4-aminocyclohexyl)-6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-[[(3R)-oxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one;8-(4-aminocyclohexyl)-6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-[[(3S)-oxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-[2-(dimethylamino)ethyl]-2-[[(3S)-oxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-(1-methylpiperidin-4-yl)-2-[[(3R)-oxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-(1-methylpiperidin-4-yl)-2-[[(3S)-oxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-[[(3R)-oxolan-3-yl]amino]-8-piperidin-4-ylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-[[(3S)-oxolan-3-yl]amino]-8-piperidin-4-ylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-[[(3R)-oxolan-3-yl]amino]-8-(2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one?
8-(4-aminocyclohexyl)-6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-[[(3R)-oxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one;8-(4-aminocyclohexyl)-6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-[[(3S)-oxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-[2-(dimethylamino)ethyl]-2-[[(3S)-oxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-(1-methylpiperidin-4-yl)-2-[[(3R)-oxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-(1-methylpiperidin-4-yl)-2-[[(3S)-oxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-[[(3R)-oxolan-3-yl]amino]-8-piperidin-4-ylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-[[(3S)-oxolan-3-yl]amino]-8-piperidin-4-ylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-[[(3R)-oxolan-3-yl]amino]-8-(2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 4194.39 g/mol, XLogP of 38.39, 44 rotatable bonds, 12 hydrogen bond donors, and 64 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-aminocyclohexyl)-6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-[[(3R)-oxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one;8-(4-aminocyclohexyl)-6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-[[(3S)-oxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-[2-(dimethylamino)ethyl]-2-[[(3S)-oxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-(1-methylpiperidin-4-yl)-2-[[(3R)-oxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-(1-methylpiperidin-4-yl)-2-[[(3S)-oxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-[[(3R)-oxolan-3-yl]amino]-8-piperidin-4-ylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-[[(3S)-oxolan-3-yl]amino]-8-piperidin-4-ylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-[[(3R)-oxolan-3-yl]amino]-8-(2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 157456827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).