8-[[2-(cyclopenten-1-yl)phenyl]methyl]-6-(cyclopropanecarbonyl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-cyclopropyl-2-[4-(4-methylmorpholin-2-yl)anilino]-8-[[5-(oxan-4-yl)-1,2-oxazol-4-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-[(3-cyclopropyltriazol-4-yl)methyl]-6-ethoxy-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-ethynyl-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-[[5-(1,3-thiazol-2-yl)-1,3-oxazol-4-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-(2-methylpropanoyl)-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-[(2-pyrrolidin-3-ylphenyl)methyl]pyrido[2,3-d]pyrimidin-7-one

C150H161N33O15S — CID 159940333

About 8-[[2-(cyclopenten-1-yl)phenyl]methyl]-6-(cyclopropanecarbonyl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-cyclopropyl-2-[4-(4-methylmorpholin-2-yl)anilino]-8-[[5-(oxan-4-yl)-1,2-oxazol-4-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-[(3-cyclopropyltriazol-4-yl)methyl]-6-ethoxy-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-ethynyl-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-[[5-(1,3-thiazol-2-yl)-1,3-oxazol-4-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-(2-methylpropanoyl)-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-[(2-pyrrolidin-3-ylphenyl)methyl]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;6-cyclopropyl-2-[4-(4-methylmorpholin-2-yl)anilino]-8-[[5-(oxan-4-yl)-1,2-oxazol-4-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-[(3-cyclopropyltriazol-4-yl)methyl]-6-ethoxy-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-ethynyl-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-[[5-(1,3-thiazol-2-yl)-1,3-oxazol-4-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-(2-methylpropanoyl)-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-[(2-pyrrolidin-3-ylphenyl)methyl]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 159940333) has the molecular formula C150H161N33O15S and a molecular weight of 2698.22 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;6-cyclopropyl-2-[4-(4-methylmorpholin-2-yl)anilino]-8-[[5-(oxan-4-yl)-1,2-oxazol-4-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-[(3-cyclopropyltriazol-4-yl)methyl]-6-ethoxy-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-ethynyl-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-[[5-(1,3-thiazol-2-yl)-1,3-oxazol-4-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-(2-methylpropanoyl)-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-[(2-pyrrolidin-3-ylphenyl)methyl]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;6-cyclopropyl-2-[4-(4-methylmorpholin-2-yl)anilino]-8-[[5-(oxan-4-yl)-1,2-oxazol-4-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-[(3-cyclopropyltriazol-4-yl)methyl]-6-ethoxy-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-ethynyl-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-[[5-(1,3-thiazol-2-yl)-1,3-oxazol-4-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-(2-methylpropanoyl)-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-[(2-pyrrolidin-3-ylphenyl)methyl]pyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 159940333
• Molecular Formula: C150H161N33O15S
• Molecular Weight: 2698.22 g/mol
• Exact Mass: 2696.26
• IUPAC Name: 8-[[2-(cyclopenten-1-yl)phenyl]methyl]-6-(cyclopropanecarbonyl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-cyclopropyl-2-[4-(4-methylmorpholin-2-yl)anilino]-8-[[5-(oxan-4-yl)-1,2-oxazol-4-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-[(3-cyclopropyltriazol-4-yl)methyl]-6-ethoxy-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-ethynyl-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-[[5-(1,3-thiazol-2-yl)-1,3-oxazol-4-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-(2-methylpropanoyl)-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-[(2-pyrrolidin-3-ylphenyl)methyl]pyrido[2,3-d]pyrimidin-7-one
• SMILES: C#Cc1cc2cnc(Nc3ccc(NC4CCN(C)C4)cc3)nc2n(Cc2ncoc2-c2nccs2)c1=O.CC(C)C(=O)c1cc2cnc(Nc3ccc(OC4CCN(C)C4)cc3)nc2n(Cc2ccccc2C2CCNC2)c1=O.CCOc1cc2cnc(Nc3ccc(OC4CCCNC4)cc3)nc2n(Cc2cnnn2C2CC2)c1=O.CN1CCOC(c2ccc(Nc3ncc4cc(C5CC5)c(=O)n(Cc5cnoc5C5CCOCC5)c4n3)cc2)C1.O=C(c1cc2cnc(Nc3ccc(OC4CCNCC4)cc3)nc2n(Cc2ccccc2C2=CCCC2)c1=O)C1CC1
• InChI: InChI=1S/C34H35N5O3.C33H38N6O3.C30H34N6O4.C27H24N8O2S.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;1-21(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;1-35-10-13-39-26(18-35)20-4-6-24(7-5-20)33-30-31-15-22-14-25(19-2-3-19)29(37)36(28(22)34-30)17-23-16-32-40-27(23)21-8-11-38-12-9-21;1-3-17-12-18-13-29-27(32-20-6-4-19(5-7-20)31-21-8-10-34(2)14-21)33-24(18)35(26(17)36)15-22-23(37-16-30-22)25-28-9-11-38-25;1-2-36-23-12-17-13-28-26(30-18-5-9-21(10-6-18)37-22-4-3-11-27-15-22)31-24(17)33(25(23)35)16-20-14-29-32-34(20)19-7-8-19/h3-5,7-8,11-14,19-20,23,28,35H,1-2,6,9-10,15-18,21H2,(H,36,37,38);4-11,16,18,21-22,27,34H,12-15,17,19-20H2,1-3H3,(H,35,36,37);4-7,14-16,19,21,26H,2-3,8-13,17-18H2,1H3,(H,31,33,34);1,4-7,9,11-13,16,21,31H,8,10,14-15H2,2H3,(H,29,32,33);5-6,9-10,12-14,19,22,27H,2-4,7-8,11,15-16H2,1H3,(H,28,30,31)
• InChIKey: OAUIKGQEJBQGOY-UHFFFAOYSA-N
• XLogP: 21.63
• TPSA: 542.07 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 49
• Rotatable Bonds: 41
• Heavy Atoms: 199
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2698.22
LogP ≤ 5	21.63
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	49

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triple_bond', '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;6-cyclopropyl-2-[4-(4-methylmorpholin-2-yl)anilino]-8-[[5-(oxan-4-yl)-1,2-oxazol-4-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-[(3-cyclopropyltriazol-4-yl)methyl]-6-ethoxy-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-ethynyl-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-[[5-(1,3-thiazol-2-yl)-1,3-oxazol-4-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-(2-methylpropanoyl)-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-[(2-pyrrolidin-3-ylphenyl)methyl]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;6-cyclopropyl-2-[4-(4-methylmorpholin-2-yl)anilino]-8-[[5-(oxan-4-yl)-1,2-oxazol-4-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-[(3-cyclopropyltriazol-4-yl)methyl]-6-ethoxy-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-ethynyl-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-[[5-(1,3-thiazol-2-yl)-1,3-oxazol-4-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-(2-methylpropanoyl)-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-[(2-pyrrolidin-3-ylphenyl)methyl]pyrido[2,3-d]pyrimidin-7-one (CID 159940333) is 8-[[2-(cyclopenten-1-yl)phenyl]methyl]-6-(cyclopropanecarbonyl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-cyclopropyl-2-[4-(4-methylmorpholin-2-yl)anilino]-8-[[5-(oxan-4-yl)-1,2-oxazol-4-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-[(3-cyclopropyltriazol-4-yl)methyl]-6-ethoxy-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-ethynyl-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-[[5-(1,3-thiazol-2-yl)-1,3-oxazol-4-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-(2-methylpropanoyl)-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-[(2-pyrrolidin-3-ylphenyl)methyl]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;6-cyclopropyl-2-[4-(4-methylmorpholin-2-yl)anilino]-8-[[5-(oxan-4-yl)-1,2-oxazol-4-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-[(3-cyclopropyltriazol-4-yl)methyl]-6-ethoxy-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-ethynyl-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-[[5-(1,3-thiazol-2-yl)-1,3-oxazol-4-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-(2-methylpropanoyl)-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-[(2-pyrrolidin-3-ylphenyl)methyl]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;6-cyclopropyl-2-[4-(4-methylmorpholin-2-yl)anilino]-8-[[5-(oxan-4-yl)-1,2-oxazol-4-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-[(3-cyclopropyltriazol-4-yl)methyl]-6-ethoxy-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-ethynyl-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-[[5-(1,3-thiazol-2-yl)-1,3-oxazol-4-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-(2-methylpropanoyl)-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-[(2-pyrrolidin-3-ylphenyl)methyl]pyrido[2,3-d]pyrimidin-7-one is C#Cc1cc2cnc(Nc3ccc(NC4CCN(C)C4)cc3)nc2n(Cc2ncoc2-c2nccs2)c1=O.CC(C)C(=O)c1cc2cnc(Nc3ccc(OC4CCN(C)C4)cc3)nc2n(Cc2ccccc2C2CCNC2)c1=O.CCOc1cc2cnc(Nc3ccc(OC4CCCNC4)cc3)nc2n(Cc2cnnn2C2CC2)c1=O.CN1CCOC(c2ccc(Nc3ncc4cc(C5CC5)c(=O)n(Cc5cnoc5C5CCOCC5)c4n3)cc2)C1.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;6-cyclopropyl-2-[4-(4-methylmorpholin-2-yl)anilino]-8-[[5-(oxan-4-yl)-1,2-oxazol-4-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-[(3-cyclopropyltriazol-4-yl)methyl]-6-ethoxy-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-ethynyl-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-[[5-(1,3-thiazol-2-yl)-1,3-oxazol-4-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-(2-methylpropanoyl)-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-[(2-pyrrolidin-3-ylphenyl)methyl]pyrido[2,3-d]pyrimidin-7-one?

The InChIKey is OAUIKGQEJBQGOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H35N5O3.C33H38N6O3.C30H34N6O4.C27H24N8O2S.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;1-21(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;1-35-10-13-39-26(18-35)20-4-6-24(7-5-20)33-30-31-15-22-14-25(19-2-3-19)29(37)36(28(22)34-30)17-23-16-32-40-27(23)21-8-11-38-12-9-21;1-3-17-12-18-13-29-27(32-20-6-4-19(5-7-20)31-21-8-10-34(2)14-21)33-24(18)35(26(17)36)15-22-23(37-16-30-22)25-28-9-11-38-25;1-2-36-23-12-17-13-28-26(30-18-5-9-21(10-6-18)37-22-4-3-11-27-15-22)31-24(17)33(25(23)35)16-20-14-29-32-34(20)19-7-8-19/h3-5,7-8,11-14,19-20,23,28,35H,1-2,6,9-10,15-18,21H2,(H,36,37,38);4-11,16,18,21-22,27,34H,12-15,17,19-20H2,1-3H3,(H,35,36,37);4-7,14-16,19,21,26H,2-3,8-13,17-18H2,1H3,(H,31,33,34);1,4-7,9,11-13,16,21,31H,8,10,14-15H2,2H3,(H,29,32,33);5-6,9-10,12-14,19,22,27H,2-4,7-8,11,15-16H2,1H3,(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;6-cyclopropyl-2-[4-(4-methylmorpholin-2-yl)anilino]-8-[[5-(oxan-4-yl)-1,2-oxazol-4-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-[(3-cyclopropyltriazol-4-yl)methyl]-6-ethoxy-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-ethynyl-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-[[5-(1,3-thiazol-2-yl)-1,3-oxazol-4-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-(2-methylpropanoyl)-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-[(2-pyrrolidin-3-ylphenyl)methyl]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;6-cyclopropyl-2-[4-(4-methylmorpholin-2-yl)anilino]-8-[[5-(oxan-4-yl)-1,2-oxazol-4-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-[(3-cyclopropyltriazol-4-yl)methyl]-6-ethoxy-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-ethynyl-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-[[5-(1,3-thiazol-2-yl)-1,3-oxazol-4-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-(2-methylpropanoyl)-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-[(2-pyrrolidin-3-ylphenyl)methyl]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 2698.22 g/mol, XLogP of 21.63, 41 rotatable bonds, 9 hydrogen bond donors, and 49 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;6-cyclopropyl-2-[4-(4-methylmorpholin-2-yl)anilino]-8-[[5-(oxan-4-yl)-1,2-oxazol-4-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-[(3-cyclopropyltriazol-4-yl)methyl]-6-ethoxy-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-ethynyl-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-[[5-(1,3-thiazol-2-yl)-1,3-oxazol-4-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-(2-methylpropanoyl)-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-[(2-pyrrolidin-3-ylphenyl)methyl]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 159940333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).