8-[[3-(cyclopenten-1-yl)imidazol-4-yl]methyl]-6-(1-methylimidazol-2-yl)-2-[4-(1-methylpyrrolidin-3-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-methylphenyl)-2-(4-piperazin-1-ylanilino)-8-[(5-pyridin-4-yl-1,3-oxazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-(5-methyl-1,3-thiazol-4-yl)-8-[[3-(oxan-4-yl)triazol-4-yl]methyl]-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(pyridin-3-ylamino)-2-[4-(pyrrolidin-3-ylamino)anilino]-8-[[2-(1,3-thiazol-2-yl)furan-3-yl]methyl]pyrido[2,3-d]pyrimidin-7-one

C123H121N35O8S2 — CID 158381821

About 8-[[3-(cyclopenten-1-yl)imidazol-4-yl]methyl]-6-(1-methylimidazol-2-yl)-2-[4-(1-methylpyrrolidin-3-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-methylphenyl)-2-(4-piperazin-1-ylanilino)-8-[(5-pyridin-4-yl-1,3-oxazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-(5-methyl-1,3-thiazol-4-yl)-8-[[3-(oxan-4-yl)triazol-4-yl]methyl]-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(pyridin-3-ylamino)-2-[4-(pyrrolidin-3-ylamino)anilino]-8-[[2-(1,3-thiazol-2-yl)furan-3-yl]methyl]pyrido[2,3-d]pyrimidin-7-one

8-[[3-(cyclopenten-1-yl)imidazol-4-yl]methyl]-6-(1-methylimidazol-2-yl)-2-[4-(1-methylpyrrolidin-3-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-methylphenyl)-2-(4-piperazin-1-ylanilino)-8-[(5-pyridin-4-yl-1,3-oxazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-(5-methyl-1,3-thiazol-4-yl)-8-[[3-(oxan-4-yl)triazol-4-yl]methyl]-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(pyridin-3-ylamino)-2-[4-(pyrrolidin-3-ylamino)anilino]-8-[[2-(1,3-thiazol-2-yl)furan-3-yl]methyl]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 158381821) has the molecular formula C123H121N35O8S2 and a molecular weight of 2281.69 g/mol. Its IUPAC name is 8-[[3-(cyclopenten-1-yl)imidazol-4-yl]methyl]-6-(1-methylimidazol-2-yl)-2-[4-(1-methylpyrrolidin-3-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-methylphenyl)-2-(4-piperazin-1-ylanilino)-8-[(5-pyridin-4-yl-1,3-oxazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-(5-methyl-1,3-thiazol-4-yl)-8-[[3-(oxan-4-yl)triazol-4-yl]methyl]-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(pyridin-3-ylamino)-2-[4-(pyrrolidin-3-ylamino)anilino]-8-[[2-(1,3-thiazol-2-yl)furan-3-yl]methyl]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 8-[[3-(cyclopenten-1-yl)imidazol-4-yl]methyl]-6-(1-methylimidazol-2-yl)-2-[4-(1-methylpyrrolidin-3-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-methylphenyl)-2-(4-piperazin-1-ylanilino)-8-[(5-pyridin-4-yl-1,3-oxazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-(5-methyl-1,3-thiazol-4-yl)-8-[[3-(oxan-4-yl)triazol-4-yl]methyl]-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(pyridin-3-ylamino)-2-[4-(pyrrolidin-3-ylamino)anilino]-8-[[2-(1,3-thiazol-2-yl)furan-3-yl]methyl]pyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 158381821
• Molecular Formula: C123H121N35O8S2
• Molecular Weight: 2281.69 g/mol
• Exact Mass: 2279.96
• IUPAC Name: 8-[[3-(cyclopenten-1-yl)imidazol-4-yl]methyl]-6-(1-methylimidazol-2-yl)-2-[4-(1-methylpyrrolidin-3-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-methylphenyl)-2-(4-piperazin-1-ylanilino)-8-[(5-pyridin-4-yl-1,3-oxazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-(5-methyl-1,3-thiazol-4-yl)-8-[[3-(oxan-4-yl)triazol-4-yl]methyl]-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(pyridin-3-ylamino)-2-[4-(pyrrolidin-3-ylamino)anilino]-8-[[2-(1,3-thiazol-2-yl)furan-3-yl]methyl]pyrido[2,3-d]pyrimidin-7-one
• SMILES: CN1CCC(c2ccc(Nc3ncc4cc(-c5nccn5C)c(=O)n(Cc5cncn5C5=CCCC5)c4n3)cc2)C1.Cc1ccccc1-c1cc2cnc(Nc3ccc(N4CCNCC4)cc3)nc2n(Cc2ncoc2-c2ccncc2)c1=O.Cc1scnc1-c1cc2cnc(Nc3ccc(OC4CCNC4)cc3)nc2n(Cc2cnnn2C2CCOCC2)c1=O.O=c1c(Nc2cccnc2)cc2cnc(Nc3ccc(NC4CCNC4)cc3)nc2n1Cc1ccoc1-c1nccs1
• InChI: InChI=1S/C33H30N8O2.C31H33N9O.C30H27N9O2S.C29H31N9O3S/c1-22-4-2-3-5-27(22)28-18-24-19-36-33(38-25-6-8-26(9-7-25)40-16-14-35-15-17-40)39-31(24)41(32(28)42)20-29-30(43-21-37-29)23-10-12-34-13-11-23;1-37-13-11-22(18-37)21-7-9-24(10-8-21)35-31-34-16-23-15-27(29-33-12-14-38(29)2)30(41)39(28(23)36-31)19-26-17-32-20-40(26)25-5-3-4-6-25;40-29-25(36-23-2-1-9-31-16-23)14-20-15-34-30(37-22-5-3-21(4-6-22)35-24-7-10-32-17-24)38-27(20)39(29)18-19-8-12-41-26(19)28-33-11-13-42-28;1-18-26(32-17-42-18)25-12-19-13-31-29(34-20-2-4-23(5-3-20)41-24-6-9-30-15-24)35-27(19)37(28(25)39)16-22-14-33-36-38(22)21-7-10-40-11-8-21/h2-13,18-19,21,35H,14-17,20H2,1H3,(H,36,38,39);5,7-10,12,14-17,20,22H,3-4,6,11,13,18-19H2,1-2H3,(H,34,35,36);1-6,8-9,11-16,24,32,35-36H,7,10,17-18H2,(H,34,37,38);2-5,12-14,17,21,24,30H,6-11,15-16H2,1H3,(H,31,34,35)
• InChIKey: GVWQHBGMLXTNBI-UHFFFAOYSA-N
• XLogP: 18.55
• TPSA: 481.41 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 45
• Rotatable Bonds: 31
• Heavy Atoms: 168
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2281.69
LogP ≤ 5	18.55
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	45

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-[[3-(cyclopenten-1-yl)imidazol-4-yl]methyl]-6-(1-methylimidazol-2-yl)-2-[4-(1-methylpyrrolidin-3-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-methylphenyl)-2-(4-piperazin-1-ylanilino)-8-[(5-pyridin-4-yl-1,3-oxazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-(5-methyl-1,3-thiazol-4-yl)-8-[[3-(oxan-4-yl)triazol-4-yl]methyl]-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(pyridin-3-ylamino)-2-[4-(pyrrolidin-3-ylamino)anilino]-8-[[2-(1,3-thiazol-2-yl)furan-3-yl]methyl]pyrido[2,3-d]pyrimidin-7-one?

The IUPAC name of 8-[[3-(cyclopenten-1-yl)imidazol-4-yl]methyl]-6-(1-methylimidazol-2-yl)-2-[4-(1-methylpyrrolidin-3-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-methylphenyl)-2-(4-piperazin-1-ylanilino)-8-[(5-pyridin-4-yl-1,3-oxazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-(5-methyl-1,3-thiazol-4-yl)-8-[[3-(oxan-4-yl)triazol-4-yl]methyl]-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(pyridin-3-ylamino)-2-[4-(pyrrolidin-3-ylamino)anilino]-8-[[2-(1,3-thiazol-2-yl)furan-3-yl]methyl]pyrido[2,3-d]pyrimidin-7-one (CID 158381821) is 8-[[3-(cyclopenten-1-yl)imidazol-4-yl]methyl]-6-(1-methylimidazol-2-yl)-2-[4-(1-methylpyrrolidin-3-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-methylphenyl)-2-(4-piperazin-1-ylanilino)-8-[(5-pyridin-4-yl-1,3-oxazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-(5-methyl-1,3-thiazol-4-yl)-8-[[3-(oxan-4-yl)triazol-4-yl]methyl]-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(pyridin-3-ylamino)-2-[4-(pyrrolidin-3-ylamino)anilino]-8-[[2-(1,3-thiazol-2-yl)furan-3-yl]methyl]pyrido[2,3-d]pyrimidin-7-one.

What is the SMILES notation for 8-[[3-(cyclopenten-1-yl)imidazol-4-yl]methyl]-6-(1-methylimidazol-2-yl)-2-[4-(1-methylpyrrolidin-3-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-methylphenyl)-2-(4-piperazin-1-ylanilino)-8-[(5-pyridin-4-yl-1,3-oxazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-(5-methyl-1,3-thiazol-4-yl)-8-[[3-(oxan-4-yl)triazol-4-yl]methyl]-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(pyridin-3-ylamino)-2-[4-(pyrrolidin-3-ylamino)anilino]-8-[[2-(1,3-thiazol-2-yl)furan-3-yl]methyl]pyrido[2,3-d]pyrimidin-7-one?

The canonical SMILES for 8-[[3-(cyclopenten-1-yl)imidazol-4-yl]methyl]-6-(1-methylimidazol-2-yl)-2-[4-(1-methylpyrrolidin-3-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-methylphenyl)-2-(4-piperazin-1-ylanilino)-8-[(5-pyridin-4-yl-1,3-oxazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-(5-methyl-1,3-thiazol-4-yl)-8-[[3-(oxan-4-yl)triazol-4-yl]methyl]-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(pyridin-3-ylamino)-2-[4-(pyrrolidin-3-ylamino)anilino]-8-[[2-(1,3-thiazol-2-yl)furan-3-yl]methyl]pyrido[2,3-d]pyrimidin-7-one is CN1CCC(c2ccc(Nc3ncc4cc(-c5nccn5C)c(=O)n(Cc5cncn5C5=CCCC5)c4n3)cc2)C1.Cc1ccccc1-c1cc2cnc(Nc3ccc(N4CCNCC4)cc3)nc2n(Cc2ncoc2-c2ccncc2)c1=O.Cc1scnc1-c1cc2cnc(Nc3ccc(OC4CCNC4)cc3)nc2n(Cc2cnnn2C2CCOCC2)c1=O.O=c1c(Nc2cccnc2)cc2cnc(Nc3ccc(NC4CCNC4)cc3)nc2n1Cc1ccoc1-c1nccs1.

What is the InChIKey of 8-[[3-(cyclopenten-1-yl)imidazol-4-yl]methyl]-6-(1-methylimidazol-2-yl)-2-[4-(1-methylpyrrolidin-3-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-methylphenyl)-2-(4-piperazin-1-ylanilino)-8-[(5-pyridin-4-yl-1,3-oxazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-(5-methyl-1,3-thiazol-4-yl)-8-[[3-(oxan-4-yl)triazol-4-yl]methyl]-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(pyridin-3-ylamino)-2-[4-(pyrrolidin-3-ylamino)anilino]-8-[[2-(1,3-thiazol-2-yl)furan-3-yl]methyl]pyrido[2,3-d]pyrimidin-7-one?

The InChIKey is GVWQHBGMLXTNBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H30N8O2.C31H33N9O.C30H27N9O2S.C29H31N9O3S/c1-22-4-2-3-5-27(22)28-18-24-19-36-33(38-25-6-8-26(9-7-25)40-16-14-35-15-17-40)39-31(24)41(32(28)42)20-29-30(43-21-37-29)23-10-12-34-13-11-23;1-37-13-11-22(18-37)21-7-9-24(10-8-21)35-31-34-16-23-15-27(29-33-12-14-38(29)2)30(41)39(28(23)36-31)19-26-17-32-20-40(26)25-5-3-4-6-25;40-29-25(36-23-2-1-9-31-16-23)14-20-15-34-30(37-22-5-3-21(4-6-22)35-24-7-10-32-17-24)38-27(20)39(29)18-19-8-12-41-26(19)28-33-11-13-42-28;1-18-26(32-17-42-18)25-12-19-13-31-29(34-20-2-4-23(5-3-20)41-24-6-9-30-15-24)35-27(19)37(28(25)39)16-22-14-33-36-38(22)21-7-10-40-11-8-21/h2-13,18-19,21,35H,14-17,20H2,1H3,(H,36,38,39);5,7-10,12,14-17,20,22H,3-4,6,11,13,18-19H2,1-2H3,(H,34,35,36);1-6,8-9,11-16,24,32,35-36H,7,10,17-18H2,(H,34,37,38);2-5,12-14,17,21,24,30H,6-11,15-16H2,1H3,(H,31,34,35).

What are the key properties of 8-[[3-(cyclopenten-1-yl)imidazol-4-yl]methyl]-6-(1-methylimidazol-2-yl)-2-[4-(1-methylpyrrolidin-3-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-methylphenyl)-2-(4-piperazin-1-ylanilino)-8-[(5-pyridin-4-yl-1,3-oxazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-(5-methyl-1,3-thiazol-4-yl)-8-[[3-(oxan-4-yl)triazol-4-yl]methyl]-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(pyridin-3-ylamino)-2-[4-(pyrrolidin-3-ylamino)anilino]-8-[[2-(1,3-thiazol-2-yl)furan-3-yl]methyl]pyrido[2,3-d]pyrimidin-7-one?

8-[[3-(cyclopenten-1-yl)imidazol-4-yl]methyl]-6-(1-methylimidazol-2-yl)-2-[4-(1-methylpyrrolidin-3-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-methylphenyl)-2-(4-piperazin-1-ylanilino)-8-[(5-pyridin-4-yl-1,3-oxazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-(5-methyl-1,3-thiazol-4-yl)-8-[[3-(oxan-4-yl)triazol-4-yl]methyl]-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(pyridin-3-ylamino)-2-[4-(pyrrolidin-3-ylamino)anilino]-8-[[2-(1,3-thiazol-2-yl)furan-3-yl]methyl]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 2281.69 g/mol, XLogP of 18.55, 31 rotatable bonds, 9 hydrogen bond donors, and 45 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[[3-(cyclopenten-1-yl)imidazol-4-yl]methyl]-6-(1-methylimidazol-2-yl)-2-[4-(1-methylpyrrolidin-3-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-methylphenyl)-2-(4-piperazin-1-ylanilino)-8-[(5-pyridin-4-yl-1,3-oxazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-(5-methyl-1,3-thiazol-4-yl)-8-[[3-(oxan-4-yl)triazol-4-yl]methyl]-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(pyridin-3-ylamino)-2-[4-(pyrrolidin-3-ylamino)anilino]-8-[[2-(1,3-thiazol-2-yl)furan-3-yl]methyl]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 158381821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).