8-[[2-(cyclopenten-1-yl)phenyl]methyl]-6-(cyclopropanecarbonyl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;8-[(3-cyclopropyltriazol-4-yl)methyl]-6-ethoxy-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;2-(3-fluoro-4-piperazin-1-ylanilino)-N,N-dimethyl-7-oxo-8-[[4-(1,3-thiazol-2-yl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidine-6-carboxamide;6-(2-methylpropanoyl)-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-[(2-pyrrolidin-3-ylphenyl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-pentan-3-yl-8-[(3-pyridin-4-yl-2-pyridinyl)methyl]-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one

C155H166FN35O12S2 — CID 157290319

About 8-[[2-(cyclopenten-1-yl)phenyl]methyl]-6-(cyclopropanecarbonyl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;8-[(3-cyclopropyltriazol-4-yl)methyl]-6-ethoxy-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;2-(3-fluoro-4-piperazin-1-ylanilino)-N,N-dimethyl-7-oxo-8-[[4-(1,3-thiazol-2-yl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidine-6-carboxamide;6-(2-methylpropanoyl)-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-[(2-pyrrolidin-3-ylphenyl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-pentan-3-yl-8-[(3-pyridin-4-yl-2-pyridinyl)methyl]-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one

8-[[2-(cyclopenten-1-yl)phenyl]methyl]-6-(cyclopropanecarbonyl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;8-[(3-cyclopropyltriazol-4-yl)methyl]-6-ethoxy-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;2-(3-fluoro-4-piperazin-1-ylanilino)-N,N-dimethyl-7-oxo-8-[[4-(1,3-thiazol-2-yl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidine-6-carboxamide;6-(2-methylpropanoyl)-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-[(2-pyrrolidin-3-ylphenyl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-pentan-3-yl-8-[(3-pyridin-4-yl-2-pyridinyl)methyl]-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 157290319) has the molecular formula C155H166FN35O12S2 and a molecular weight of 2794.40 g/mol. Its IUPAC name is 8-[[2-(cyclopenten-1-yl)phenyl]methyl]-6-(cyclopropanecarbonyl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;8-[(3-cyclopropyltriazol-4-yl)methyl]-6-ethoxy-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;2-(3-fluoro-4-piperazin-1-ylanilino)-N,N-dimethyl-7-oxo-8-[[4-(1,3-thiazol-2-yl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidine-6-carboxamide;6-(2-methylpropanoyl)-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-[(2-pyrrolidin-3-ylphenyl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-pentan-3-yl-8-[(3-pyridin-4-yl-2-pyridinyl)methyl]-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 8-[[2-(cyclopenten-1-yl)phenyl]methyl]-6-(cyclopropanecarbonyl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;8-[(3-cyclopropyltriazol-4-yl)methyl]-6-ethoxy-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;2-(3-fluoro-4-piperazin-1-ylanilino)-N,N-dimethyl-7-oxo-8-[[4-(1,3-thiazol-2-yl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidine-6-carboxamide;6-(2-methylpropanoyl)-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-[(2-pyrrolidin-3-ylphenyl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-pentan-3-yl-8-[(3-pyridin-4-yl-2-pyridinyl)methyl]-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 157290319
• Molecular Formula: C155H166FN35O12S2
• Molecular Weight: 2794.40 g/mol
• Exact Mass: 2792.29
• IUPAC Name: 8-[[2-(cyclopenten-1-yl)phenyl]methyl]-6-(cyclopropanecarbonyl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;8-[(3-cyclopropyltriazol-4-yl)methyl]-6-ethoxy-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;2-(3-fluoro-4-piperazin-1-ylanilino)-N,N-dimethyl-7-oxo-8-[[4-(1,3-thiazol-2-yl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidine-6-carboxamide;6-(2-methylpropanoyl)-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-[(2-pyrrolidin-3-ylphenyl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-pentan-3-yl-8-[(3-pyridin-4-yl-2-pyridinyl)methyl]-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one
• SMILES: CC(C)C(=O)c1cc2cnc(Nc3ccc(OC4CCN(C)C4)cc3)nc2n(Cc2ccccc2C2CCNC2)c1=O.CCC(CC)c1cc2cnc(Nc3ccc(C4CNCCS4)cc3)nc2n(Cc2ncccc2-c2ccncc2)c1=O.CCOc1cc2cnc(Nc3ccc(OC4CCNCC4)cc3)nc2n(Cc2cnnn2C2CC2)c1=O.CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCNCC4)c(F)c3)nc2n(Cc2cnccc2-c2nccs2)c1=O.O=C(c1cc2cnc(Nc3ccc(OC4CCNCC4)cc3)nc2n(Cc2ccccc2C2=CCCC2)c1=O)C1CC1
• InChI: InChI=1S/C34H35N5O3.C33H35N7OS.C33H38N6O3.C29H28FN9O2S.C26H30N8O3/c40-31(23-9-10-23)30-19-25-20-36-34(37-26-11-13-27(14-12-26)42-28-15-17-35-18-16-28)38-32(25)39(33(30)41)21-24-7-3-4-8-29(24)22-5-1-2-6-22;1-3-22(4-2)28-18-25-19-37-33(38-26-9-7-24(8-10-26)30-20-35-16-17-42-30)39-31(25)40(32(28)41)21-29-27(6-5-13-36-29)23-11-14-34-15-12-23;1-21(2)30(40)29-16-24-18-35-33(36-25-8-10-26(11-9-25)42-27-13-15-38(3)20-27)37-31(24)39(32(29)41)19-23-6-4-5-7-28(23)22-12-14-34-17-22;1-37(2)27(40)22-13-18-16-34-29(35-20-3-4-24(23(30)14-20)38-10-7-31-8-11-38)36-25(18)39(28(22)41)17-19-15-32-6-5-21(19)26-33-9-12-42-26;1-2-36-23-13-17-14-28-26(30-18-3-7-21(8-4-18)37-22-9-11-27-12-10-22)31-24(17)33(25(23)35)16-20-15-29-32-34(20)19-5-6-19/h3-5,7-8,11-14,19-20,23,28,35H,1-2,6,9-10,15-18,21H2,(H,36,37,38);5-15,18-19,22,30,35H,3-4,16-17,20-21H2,1-2H3,(H,37,38,39);4-11,16,18,21-22,27,34H,12-15,17,19-20H2,1-3H3,(H,35,36,37);3-6,9,12-16,31H,7-8,10-11,17H2,1-2H3,(H,34,35,36);3-4,7-8,13-15,19,22,27H,2,5-6,9-12,16H2,1H3,(H,28,30,31)
• InChIKey: BASKOFWKEKAFRW-UHFFFAOYSA-N
• XLogP: 23.17
• TPSA: 539.32 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 48
• Rotatable Bonds: 43
• Heavy Atoms: 205
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2794.40
LogP ≤ 5	23.17
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	48

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 8-[[2-(cyclopenten-1-yl)phenyl]methyl]-6-(cyclopropanecarbonyl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;8-[(3-cyclopropyltriazol-4-yl)methyl]-6-ethoxy-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;2-(3-fluoro-4-piperazin-1-ylanilino)-N,N-dimethyl-7-oxo-8-[[4-(1,3-thiazol-2-yl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidine-6-carboxamide;6-(2-methylpropanoyl)-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-[(2-pyrrolidin-3-ylphenyl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-pentan-3-yl-8-[(3-pyridin-4-yl-2-pyridinyl)methyl]-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one?

The IUPAC name of 8-[[2-(cyclopenten-1-yl)phenyl]methyl]-6-(cyclopropanecarbonyl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;8-[(3-cyclopropyltriazol-4-yl)methyl]-6-ethoxy-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;2-(3-fluoro-4-piperazin-1-ylanilino)-N,N-dimethyl-7-oxo-8-[[4-(1,3-thiazol-2-yl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidine-6-carboxamide;6-(2-methylpropanoyl)-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-[(2-pyrrolidin-3-ylphenyl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-pentan-3-yl-8-[(3-pyridin-4-yl-2-pyridinyl)methyl]-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one (CID 157290319) is 8-[[2-(cyclopenten-1-yl)phenyl]methyl]-6-(cyclopropanecarbonyl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;8-[(3-cyclopropyltriazol-4-yl)methyl]-6-ethoxy-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;2-(3-fluoro-4-piperazin-1-ylanilino)-N,N-dimethyl-7-oxo-8-[[4-(1,3-thiazol-2-yl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidine-6-carboxamide;6-(2-methylpropanoyl)-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-[(2-pyrrolidin-3-ylphenyl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-pentan-3-yl-8-[(3-pyridin-4-yl-2-pyridinyl)methyl]-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one.

What is the SMILES notation for 8-[[2-(cyclopenten-1-yl)phenyl]methyl]-6-(cyclopropanecarbonyl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;8-[(3-cyclopropyltriazol-4-yl)methyl]-6-ethoxy-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;2-(3-fluoro-4-piperazin-1-ylanilino)-N,N-dimethyl-7-oxo-8-[[4-(1,3-thiazol-2-yl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidine-6-carboxamide;6-(2-methylpropanoyl)-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-[(2-pyrrolidin-3-ylphenyl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-pentan-3-yl-8-[(3-pyridin-4-yl-2-pyridinyl)methyl]-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one?

The canonical SMILES for 8-[[2-(cyclopenten-1-yl)phenyl]methyl]-6-(cyclopropanecarbonyl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;8-[(3-cyclopropyltriazol-4-yl)methyl]-6-ethoxy-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;2-(3-fluoro-4-piperazin-1-ylanilino)-N,N-dimethyl-7-oxo-8-[[4-(1,3-thiazol-2-yl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidine-6-carboxamide;6-(2-methylpropanoyl)-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-[(2-pyrrolidin-3-ylphenyl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-pentan-3-yl-8-[(3-pyridin-4-yl-2-pyridinyl)methyl]-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one is CC(C)C(=O)c1cc2cnc(Nc3ccc(OC4CCN(C)C4)cc3)nc2n(Cc2ccccc2C2CCNC2)c1=O.CCC(CC)c1cc2cnc(Nc3ccc(C4CNCCS4)cc3)nc2n(Cc2ncccc2-c2ccncc2)c1=O.CCOc1cc2cnc(Nc3ccc(OC4CCNCC4)cc3)nc2n(Cc2cnnn2C2CC2)c1=O.CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCNCC4)c(F)c3)nc2n(Cc2cnccc2-c2nccs2)c1=O.O=C(c1cc2cnc(Nc3ccc(OC4CCNCC4)cc3)nc2n(Cc2ccccc2C2=CCCC2)c1=O)C1CC1.

What is the InChIKey of 8-[[2-(cyclopenten-1-yl)phenyl]methyl]-6-(cyclopropanecarbonyl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;8-[(3-cyclopropyltriazol-4-yl)methyl]-6-ethoxy-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;2-(3-fluoro-4-piperazin-1-ylanilino)-N,N-dimethyl-7-oxo-8-[[4-(1,3-thiazol-2-yl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidine-6-carboxamide;6-(2-methylpropanoyl)-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-[(2-pyrrolidin-3-ylphenyl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-pentan-3-yl-8-[(3-pyridin-4-yl-2-pyridinyl)methyl]-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one?

The InChIKey is BASKOFWKEKAFRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H35N5O3.C33H35N7OS.C33H38N6O3.C29H28FN9O2S.C26H30N8O3/c40-31(23-9-10-23)30-19-25-20-36-34(37-26-11-13-27(14-12-26)42-28-15-17-35-18-16-28)38-32(25)39(33(30)41)21-24-7-3-4-8-29(24)22-5-1-2-6-22;1-3-22(4-2)28-18-25-19-37-33(38-26-9-7-24(8-10-26)30-20-35-16-17-42-30)39-31(25)40(32(28)41)21-29-27(6-5-13-36-29)23-11-14-34-15-12-23;1-21(2)30(40)29-16-24-18-35-33(36-25-8-10-26(11-9-25)42-27-13-15-38(3)20-27)37-31(24)39(32(29)41)19-23-6-4-5-7-28(23)22-12-14-34-17-22;1-37(2)27(40)22-13-18-16-34-29(35-20-3-4-24(23(30)14-20)38-10-7-31-8-11-38)36-25(18)39(28(22)41)17-19-15-32-6-5-21(19)26-33-9-12-42-26;1-2-36-23-13-17-14-28-26(30-18-3-7-21(8-4-18)37-22-9-11-27-12-10-22)31-24(17)33(25(23)35)16-20-15-29-32-34(20)19-5-6-19/h3-5,7-8,11-14,19-20,23,28,35H,1-2,6,9-10,15-18,21H2,(H,36,37,38);5-15,18-19,22,30,35H,3-4,16-17,20-21H2,1-2H3,(H,37,38,39);4-11,16,18,21-22,27,34H,12-15,17,19-20H2,1-3H3,(H,35,36,37);3-6,9,12-16,31H,7-8,10-11,17H2,1-2H3,(H,34,35,36);3-4,7-8,13-15,19,22,27H,2,5-6,9-12,16H2,1H3,(H,28,30,31).

What are the key properties of 8-[[2-(cyclopenten-1-yl)phenyl]methyl]-6-(cyclopropanecarbonyl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;8-[(3-cyclopropyltriazol-4-yl)methyl]-6-ethoxy-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;2-(3-fluoro-4-piperazin-1-ylanilino)-N,N-dimethyl-7-oxo-8-[[4-(1,3-thiazol-2-yl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidine-6-carboxamide;6-(2-methylpropanoyl)-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-[(2-pyrrolidin-3-ylphenyl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-pentan-3-yl-8-[(3-pyridin-4-yl-2-pyridinyl)methyl]-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one?

8-[[2-(cyclopenten-1-yl)phenyl]methyl]-6-(cyclopropanecarbonyl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;8-[(3-cyclopropyltriazol-4-yl)methyl]-6-ethoxy-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;2-(3-fluoro-4-piperazin-1-ylanilino)-N,N-dimethyl-7-oxo-8-[[4-(1,3-thiazol-2-yl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidine-6-carboxamide;6-(2-methylpropanoyl)-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-[(2-pyrrolidin-3-ylphenyl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-pentan-3-yl-8-[(3-pyridin-4-yl-2-pyridinyl)methyl]-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 2794.40 g/mol, XLogP of 23.17, 43 rotatable bonds, 10 hydrogen bond donors, and 48 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[[2-(cyclopenten-1-yl)phenyl]methyl]-6-(cyclopropanecarbonyl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;8-[(3-cyclopropyltriazol-4-yl)methyl]-6-ethoxy-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;2-(3-fluoro-4-piperazin-1-ylanilino)-N,N-dimethyl-7-oxo-8-[[4-(1,3-thiazol-2-yl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidine-6-carboxamide;6-(2-methylpropanoyl)-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-[(2-pyrrolidin-3-ylphenyl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-pentan-3-yl-8-[(3-pyridin-4-yl-2-pyridinyl)methyl]-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 157290319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).