6-(2-methylcyclopenten-1-yl)-8-(1-methyl-4-oxo-2,3-dihydroquinolin-3-yl)-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(2-methyl-1-oxo-3,4-dihydroisoquinolin-3-yl)-6-(2-methylphenyl)-2-(3-methyl-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(1-methyl-2-oxo-3,4-dihydroquinolin-3-yl)-2-[4-(piperidin-3-ylamino)anilino]-6-(pyridin-3-ylamino)pyrido[2,3-d]pyrimidin-7-one;6-(5-methyl-1,3-thiazol-4-yl)-8-(4-oxo-2,3-dihydrothiochromen-3-yl)-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one

C133H134N30O8S2 — CID 158564140

About 6-(2-methylcyclopenten-1-yl)-8-(1-methyl-4-oxo-2,3-dihydroquinolin-3-yl)-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(2-methyl-1-oxo-3,4-dihydroisoquinolin-3-yl)-6-(2-methylphenyl)-2-(3-methyl-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(1-methyl-2-oxo-3,4-dihydroquinolin-3-yl)-2-[4-(piperidin-3-ylamino)anilino]-6-(pyridin-3-ylamino)pyrido[2,3-d]pyrimidin-7-one;6-(5-methyl-1,3-thiazol-4-yl)-8-(4-oxo-2,3-dihydrothiochromen-3-yl)-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one

6-(2-methylcyclopenten-1-yl)-8-(1-methyl-4-oxo-2,3-dihydroquinolin-3-yl)-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(2-methyl-1-oxo-3,4-dihydroisoquinolin-3-yl)-6-(2-methylphenyl)-2-(3-methyl-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(1-methyl-2-oxo-3,4-dihydroquinolin-3-yl)-2-[4-(piperidin-3-ylamino)anilino]-6-(pyridin-3-ylamino)pyrido[2,3-d]pyrimidin-7-one;6-(5-methyl-1,3-thiazol-4-yl)-8-(4-oxo-2,3-dihydrothiochromen-3-yl)-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 158564140) has the molecular formula C133H134N30O8S2 and a molecular weight of 2344.87 g/mol. Its IUPAC name is 6-(2-methylcyclopenten-1-yl)-8-(1-methyl-4-oxo-2,3-dihydroquinolin-3-yl)-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(2-methyl-1-oxo-3,4-dihydroisoquinolin-3-yl)-6-(2-methylphenyl)-2-(3-methyl-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(1-methyl-2-oxo-3,4-dihydroquinolin-3-yl)-2-[4-(piperidin-3-ylamino)anilino]-6-(pyridin-3-ylamino)pyrido[2,3-d]pyrimidin-7-one;6-(5-methyl-1,3-thiazol-4-yl)-8-(4-oxo-2,3-dihydrothiochromen-3-yl)-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 6-(2-methylcyclopenten-1-yl)-8-(1-methyl-4-oxo-2,3-dihydroquinolin-3-yl)-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(2-methyl-1-oxo-3,4-dihydroisoquinolin-3-yl)-6-(2-methylphenyl)-2-(3-methyl-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(1-methyl-2-oxo-3,4-dihydroquinolin-3-yl)-2-[4-(piperidin-3-ylamino)anilino]-6-(pyridin-3-ylamino)pyrido[2,3-d]pyrimidin-7-one;6-(5-methyl-1,3-thiazol-4-yl)-8-(4-oxo-2,3-dihydrothiochromen-3-yl)-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 158564140
• Molecular Formula: C133H134N30O8S2
• Molecular Weight: 2344.87 g/mol
• Exact Mass: 2343.04
• IUPAC Name: 6-(2-methylcyclopenten-1-yl)-8-(1-methyl-4-oxo-2,3-dihydroquinolin-3-yl)-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(2-methyl-1-oxo-3,4-dihydroisoquinolin-3-yl)-6-(2-methylphenyl)-2-(3-methyl-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(1-methyl-2-oxo-3,4-dihydroquinolin-3-yl)-2-[4-(piperidin-3-ylamino)anilino]-6-(pyridin-3-ylamino)pyrido[2,3-d]pyrimidin-7-one;6-(5-methyl-1,3-thiazol-4-yl)-8-(4-oxo-2,3-dihydrothiochromen-3-yl)-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one
• SMILES: CC1=C(c2cc3cnc(Nc4ccc(N5CCN(C)CC5)cc4)nc3n(C3CN(C)c4ccccc4C3=O)c2=O)CCC1.CN1C(=O)C(n2c(=O)c(Nc3cccnc3)cc3cnc(Nc4ccc(NC5CCCNC5)cc4)nc32)Cc2ccccc21.Cc1ccccc1-c1cc2cnc(Nc3ccc(N4CCNCC4)c(C)c3)nc2n(C2Cc3ccccc3C(=O)N2C)c1=O.Cc1scnc1-c1cc2cnc(Nc3ccc(NC4CCNCC4)cc3)nc2n(C2CSc3ccccc3C2=O)c1=O
• InChI: InChI=1S/C35H35N7O2.C34H37N7O2.C33H33N9O2.C31H29N7O2S2/c1-22-8-4-6-10-27(22)29-19-25-21-37-35(38-26-12-13-30(23(2)18-26)41-16-14-36-15-17-41)39-32(25)42(34(29)44)31-20-24-9-5-7-11-28(24)33(43)40(31)3;1-22-7-6-9-26(22)28-19-23-20-35-34(36-24-11-13-25(14-12-24)40-17-15-38(2)16-18-40)37-32(23)41(33(28)43)30-21-39(3)29-10-5-4-8-27(29)31(30)42;1-41-28-9-3-2-6-21(28)17-29(32(41)44)42-30-22(16-27(31(42)43)38-26-8-5-15-35-20-26)18-36-33(40-30)39-24-12-10-23(11-13-24)37-25-7-4-14-34-19-25;1-18-27(34-17-42-18)24-14-19-15-33-31(36-21-8-6-20(7-9-21)35-22-10-12-32-13-11-22)37-29(19)38(30(24)40)25-16-41-26-5-3-2-4-23(26)28(25)39/h4-13,18-19,21,31,36H,14-17,20H2,1-3H3,(H,37,38,39);4-5,8,10-14,19-20,30H,6-7,9,15-18,21H2,1-3H3,(H,35,36,37);2-3,5-6,8-13,15-16,18,20,25,29,34,37-38H,4,7,14,17,19H2,1H3,(H,36,39,40);2-9,14-15,17,22,25,32,35H,10-13,16H2,1H3,(H,33,36,37)
• InChIKey: HRGKWMBFOBPDOI-UHFFFAOYSA-N
• XLogP: 20.43
• TPSA: 424.92 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 38
• Rotatable Bonds: 23
• Heavy Atoms: 173
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2344.87
LogP ≤ 5	20.43
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-(2-methylcyclopenten-1-yl)-8-(1-methyl-4-oxo-2,3-dihydroquinolin-3-yl)-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(2-methyl-1-oxo-3,4-dihydroisoquinolin-3-yl)-6-(2-methylphenyl)-2-(3-methyl-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(1-methyl-2-oxo-3,4-dihydroquinolin-3-yl)-2-[4-(piperidin-3-ylamino)anilino]-6-(pyridin-3-ylamino)pyrido[2,3-d]pyrimidin-7-one;6-(5-methyl-1,3-thiazol-4-yl)-8-(4-oxo-2,3-dihydrothiochromen-3-yl)-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one?

The IUPAC name of 6-(2-methylcyclopenten-1-yl)-8-(1-methyl-4-oxo-2,3-dihydroquinolin-3-yl)-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(2-methyl-1-oxo-3,4-dihydroisoquinolin-3-yl)-6-(2-methylphenyl)-2-(3-methyl-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(1-methyl-2-oxo-3,4-dihydroquinolin-3-yl)-2-[4-(piperidin-3-ylamino)anilino]-6-(pyridin-3-ylamino)pyrido[2,3-d]pyrimidin-7-one;6-(5-methyl-1,3-thiazol-4-yl)-8-(4-oxo-2,3-dihydrothiochromen-3-yl)-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one (CID 158564140) is 6-(2-methylcyclopenten-1-yl)-8-(1-methyl-4-oxo-2,3-dihydroquinolin-3-yl)-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(2-methyl-1-oxo-3,4-dihydroisoquinolin-3-yl)-6-(2-methylphenyl)-2-(3-methyl-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(1-methyl-2-oxo-3,4-dihydroquinolin-3-yl)-2-[4-(piperidin-3-ylamino)anilino]-6-(pyridin-3-ylamino)pyrido[2,3-d]pyrimidin-7-one;6-(5-methyl-1,3-thiazol-4-yl)-8-(4-oxo-2,3-dihydrothiochromen-3-yl)-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one.

What is the SMILES notation for 6-(2-methylcyclopenten-1-yl)-8-(1-methyl-4-oxo-2,3-dihydroquinolin-3-yl)-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(2-methyl-1-oxo-3,4-dihydroisoquinolin-3-yl)-6-(2-methylphenyl)-2-(3-methyl-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(1-methyl-2-oxo-3,4-dihydroquinolin-3-yl)-2-[4-(piperidin-3-ylamino)anilino]-6-(pyridin-3-ylamino)pyrido[2,3-d]pyrimidin-7-one;6-(5-methyl-1,3-thiazol-4-yl)-8-(4-oxo-2,3-dihydrothiochromen-3-yl)-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one?

The canonical SMILES for 6-(2-methylcyclopenten-1-yl)-8-(1-methyl-4-oxo-2,3-dihydroquinolin-3-yl)-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(2-methyl-1-oxo-3,4-dihydroisoquinolin-3-yl)-6-(2-methylphenyl)-2-(3-methyl-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(1-methyl-2-oxo-3,4-dihydroquinolin-3-yl)-2-[4-(piperidin-3-ylamino)anilino]-6-(pyridin-3-ylamino)pyrido[2,3-d]pyrimidin-7-one;6-(5-methyl-1,3-thiazol-4-yl)-8-(4-oxo-2,3-dihydrothiochromen-3-yl)-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one is CC1=C(c2cc3cnc(Nc4ccc(N5CCN(C)CC5)cc4)nc3n(C3CN(C)c4ccccc4C3=O)c2=O)CCC1.CN1C(=O)C(n2c(=O)c(Nc3cccnc3)cc3cnc(Nc4ccc(NC5CCCNC5)cc4)nc32)Cc2ccccc21.Cc1ccccc1-c1cc2cnc(Nc3ccc(N4CCNCC4)c(C)c3)nc2n(C2Cc3ccccc3C(=O)N2C)c1=O.Cc1scnc1-c1cc2cnc(Nc3ccc(NC4CCNCC4)cc3)nc2n(C2CSc3ccccc3C2=O)c1=O.

What is the InChIKey of 6-(2-methylcyclopenten-1-yl)-8-(1-methyl-4-oxo-2,3-dihydroquinolin-3-yl)-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(2-methyl-1-oxo-3,4-dihydroisoquinolin-3-yl)-6-(2-methylphenyl)-2-(3-methyl-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(1-methyl-2-oxo-3,4-dihydroquinolin-3-yl)-2-[4-(piperidin-3-ylamino)anilino]-6-(pyridin-3-ylamino)pyrido[2,3-d]pyrimidin-7-one;6-(5-methyl-1,3-thiazol-4-yl)-8-(4-oxo-2,3-dihydrothiochromen-3-yl)-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one?

The InChIKey is HRGKWMBFOBPDOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H35N7O2.C34H37N7O2.C33H33N9O2.C31H29N7O2S2/c1-22-8-4-6-10-27(22)29-19-25-21-37-35(38-26-12-13-30(23(2)18-26)41-16-14-36-15-17-41)39-32(25)42(34(29)44)31-20-24-9-5-7-11-28(24)33(43)40(31)3;1-22-7-6-9-26(22)28-19-23-20-35-34(36-24-11-13-25(14-12-24)40-17-15-38(2)16-18-40)37-32(23)41(33(28)43)30-21-39(3)29-10-5-4-8-27(29)31(30)42;1-41-28-9-3-2-6-21(28)17-29(32(41)44)42-30-22(16-27(31(42)43)38-26-8-5-15-35-20-26)18-36-33(40-30)39-24-12-10-23(11-13-24)37-25-7-4-14-34-19-25;1-18-27(34-17-42-18)24-14-19-15-33-31(36-21-8-6-20(7-9-21)35-22-10-12-32-13-11-22)37-29(19)38(30(24)40)25-16-41-26-5-3-2-4-23(26)28(25)39/h4-13,18-19,21,31,36H,14-17,20H2,1-3H3,(H,37,38,39);4-5,8,10-14,19-20,30H,6-7,9,15-18,21H2,1-3H3,(H,35,36,37);2-3,5-6,8-13,15-16,18,20,25,29,34,37-38H,4,7,14,17,19H2,1H3,(H,36,39,40);2-9,14-15,17,22,25,32,35H,10-13,16H2,1H3,(H,33,36,37).

What are the key properties of 6-(2-methylcyclopenten-1-yl)-8-(1-methyl-4-oxo-2,3-dihydroquinolin-3-yl)-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(2-methyl-1-oxo-3,4-dihydroisoquinolin-3-yl)-6-(2-methylphenyl)-2-(3-methyl-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(1-methyl-2-oxo-3,4-dihydroquinolin-3-yl)-2-[4-(piperidin-3-ylamino)anilino]-6-(pyridin-3-ylamino)pyrido[2,3-d]pyrimidin-7-one;6-(5-methyl-1,3-thiazol-4-yl)-8-(4-oxo-2,3-dihydrothiochromen-3-yl)-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one?

6-(2-methylcyclopenten-1-yl)-8-(1-methyl-4-oxo-2,3-dihydroquinolin-3-yl)-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(2-methyl-1-oxo-3,4-dihydroisoquinolin-3-yl)-6-(2-methylphenyl)-2-(3-methyl-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(1-methyl-2-oxo-3,4-dihydroquinolin-3-yl)-2-[4-(piperidin-3-ylamino)anilino]-6-(pyridin-3-ylamino)pyrido[2,3-d]pyrimidin-7-one;6-(5-methyl-1,3-thiazol-4-yl)-8-(4-oxo-2,3-dihydrothiochromen-3-yl)-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 2344.87 g/mol, XLogP of 20.43, 23 rotatable bonds, 10 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(2-methylcyclopenten-1-yl)-8-(1-methyl-4-oxo-2,3-dihydroquinolin-3-yl)-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(2-methyl-1-oxo-3,4-dihydroisoquinolin-3-yl)-6-(2-methylphenyl)-2-(3-methyl-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(1-methyl-2-oxo-3,4-dihydroquinolin-3-yl)-2-[4-(piperidin-3-ylamino)anilino]-6-(pyridin-3-ylamino)pyrido[2,3-d]pyrimidin-7-one;6-(5-methyl-1,3-thiazol-4-yl)-8-(4-oxo-2,3-dihydrothiochromen-3-yl)-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 158564140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).