8-(2,2-dimethyl-1,1-dioxo-3,4-dihydrothiochromen-3-yl)-6-(1-methylimidazol-2-yl)-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-methylcyclopenten-1-yl)-2-[4-(4-methylpiperazin-1-yl)anilino]-8-(1,2,3,4-tetrahydroquinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-methyl-8-(1-methyl-2,2-dioxo-3,4-dihydro-2λ6,1-benzothiazin-3-yl)-2-[4-(1-methylpiperidin-3-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-methylphenyl)-2-(3-methyl-4-piperazin-1-ylanilino)-8-(4-oxo-2,3-dihydro-1H-naphthalen-2-yl)pyrido[2,3-d]pyrimidin-7-one

C131H140N26O9S2 — CID 159173606

About 8-(2,2-dimethyl-1,1-dioxo-3,4-dihydrothiochromen-3-yl)-6-(1-methylimidazol-2-yl)-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-methylcyclopenten-1-yl)-2-[4-(4-methylpiperazin-1-yl)anilino]-8-(1,2,3,4-tetrahydroquinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-methyl-8-(1-methyl-2,2-dioxo-3,4-dihydro-2λ6,1-benzothiazin-3-yl)-2-[4-(1-methylpiperidin-3-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-methylphenyl)-2-(3-methyl-4-piperazin-1-ylanilino)-8-(4-oxo-2,3-dihydro-1H-naphthalen-2-yl)pyrido[2,3-d]pyrimidin-7-one

8-(2,2-dimethyl-1,1-dioxo-3,4-dihydrothiochromen-3-yl)-6-(1-methylimidazol-2-yl)-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-methylcyclopenten-1-yl)-2-[4-(4-methylpiperazin-1-yl)anilino]-8-(1,2,3,4-tetrahydroquinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-methyl-8-(1-methyl-2,2-dioxo-3,4-dihydro-2λ6,1-benzothiazin-3-yl)-2-[4-(1-methylpiperidin-3-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-methylphenyl)-2-(3-methyl-4-piperazin-1-ylanilino)-8-(4-oxo-2,3-dihydro-1H-naphthalen-2-yl)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 159173606) has the molecular formula C131H140N26O9S2 and a molecular weight of 2286.87 g/mol. Its IUPAC name is 8-(2,2-dimethyl-1,1-dioxo-3,4-dihydrothiochromen-3-yl)-6-(1-methylimidazol-2-yl)-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-methylcyclopenten-1-yl)-2-[4-(4-methylpiperazin-1-yl)anilino]-8-(1,2,3,4-tetrahydroquinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-methyl-8-(1-methyl-2,2-dioxo-3,4-dihydro-2λ6,1-benzothiazin-3-yl)-2-[4-(1-methylpiperidin-3-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-methylphenyl)-2-(3-methyl-4-piperazin-1-ylanilino)-8-(4-oxo-2,3-dihydro-1H-naphthalen-2-yl)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 8-(2,2-dimethyl-1,1-dioxo-3,4-dihydrothiochromen-3-yl)-6-(1-methylimidazol-2-yl)-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-methylcyclopenten-1-yl)-2-[4-(4-methylpiperazin-1-yl)anilino]-8-(1,2,3,4-tetrahydroquinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-methyl-8-(1-methyl-2,2-dioxo-3,4-dihydro-2λ6,1-benzothiazin-3-yl)-2-[4-(1-methylpiperidin-3-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-methylphenyl)-2-(3-methyl-4-piperazin-1-ylanilino)-8-(4-oxo-2,3-dihydro-1H-naphthalen-2-yl)pyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 159173606
• Molecular Formula: C131H140N26O9S2
• Molecular Weight: 2286.87 g/mol
• Exact Mass: 2285.07
• IUPAC Name: 8-(2,2-dimethyl-1,1-dioxo-3,4-dihydrothiochromen-3-yl)-6-(1-methylimidazol-2-yl)-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-methylcyclopenten-1-yl)-2-[4-(4-methylpiperazin-1-yl)anilino]-8-(1,2,3,4-tetrahydroquinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-methyl-8-(1-methyl-2,2-dioxo-3,4-dihydro-2λ6,1-benzothiazin-3-yl)-2-[4-(1-methylpiperidin-3-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-methylphenyl)-2-(3-methyl-4-piperazin-1-ylanilino)-8-(4-oxo-2,3-dihydro-1H-naphthalen-2-yl)pyrido[2,3-d]pyrimidin-7-one
• SMILES: CC1=C(c2cc3cnc(Nc4ccc(N5CCN(C)CC5)cc4)nc3n(C3CNc4ccccc4C3)c2=O)CCC1.CN1CCC(c2ccc(Nc3ncc4cc(-c5nccn5C)c(=O)n(C5Cc6ccccc6S(=O)(=O)C5(C)C)c4n3)cc2)CC1.Cc1cc2cnc(Nc3ccc(C4CCCN(C)C4)cc3)nc2n(C2Cc3ccccc3N(C)S2(=O)=O)c1=O.Cc1ccccc1-c1cc2cnc(Nc3ccc(N4CCNCC4)c(C)c3)nc2n(C2CC(=O)c3ccccc3C2)c1=O
• InChI: InChI=1S/C35H34N6O2.C34H37N7O3S.C33H37N7O.C29H32N6O3S/c1-22-7-3-5-9-28(22)30-19-25-21-37-35(38-26-11-12-31(23(2)17-26)40-15-13-36-14-16-40)39-33(25)41(34(30)43)27-18-24-8-4-6-10-29(24)32(42)20-27;1-34(2)29(20-24-7-5-6-8-28(24)45(34,43)44)41-30-25(19-27(32(41)42)31-35-15-18-40(31)4)21-36-33(38-30)37-26-11-9-22(10-12-26)23-13-16-39(3)17-14-23;1-22-6-5-8-28(22)29-19-24-20-35-33(36-25-10-12-26(13-11-25)39-16-14-38(2)15-17-39)37-31(24)40(32(29)41)27-18-23-7-3-4-9-30(23)34-21-27;1-19-15-23-17-30-29(31-24-12-10-20(11-13-24)22-8-6-14-33(2)18-22)32-27(23)35(28(19)36)26-16-21-7-4-5-9-25(21)34(3)39(26,37)38/h3-12,17,19,21,27,36H,13-16,18,20H2,1-2H3,(H,37,38,39);5-12,15,18-19,21,23,29H,13-14,16-17,20H2,1-4H3,(H,36,37,38);3-4,7,9-13,19-20,27,34H,5-6,8,14-18,21H2,1-2H3,(H,35,36,37);4-5,7,9-13,15,17,22,26H,6,8,14,16,18H2,1-3H3,(H,30,31,32)
• InChIKey: KLZORGWHIICKEG-UHFFFAOYSA-N
• XLogP: 20.32
• TPSA: 385.91 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 34
• Rotatable Bonds: 19
• Heavy Atoms: 168
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2286.87
LogP ≤ 5	20.32
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	34

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-(2,2-dimethyl-1,1-dioxo-3,4-dihydrothiochromen-3-yl)-6-(1-methylimidazol-2-yl)-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-methylcyclopenten-1-yl)-2-[4-(4-methylpiperazin-1-yl)anilino]-8-(1,2,3,4-tetrahydroquinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-methyl-8-(1-methyl-2,2-dioxo-3,4-dihydro-2λ6,1-benzothiazin-3-yl)-2-[4-(1-methylpiperidin-3-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-methylphenyl)-2-(3-methyl-4-piperazin-1-ylanilino)-8-(4-oxo-2,3-dihydro-1H-naphthalen-2-yl)pyrido[2,3-d]pyrimidin-7-one?

The IUPAC name of 8-(2,2-dimethyl-1,1-dioxo-3,4-dihydrothiochromen-3-yl)-6-(1-methylimidazol-2-yl)-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-methylcyclopenten-1-yl)-2-[4-(4-methylpiperazin-1-yl)anilino]-8-(1,2,3,4-tetrahydroquinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-methyl-8-(1-methyl-2,2-dioxo-3,4-dihydro-2λ6,1-benzothiazin-3-yl)-2-[4-(1-methylpiperidin-3-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-methylphenyl)-2-(3-methyl-4-piperazin-1-ylanilino)-8-(4-oxo-2,3-dihydro-1H-naphthalen-2-yl)pyrido[2,3-d]pyrimidin-7-one (CID 159173606) is 8-(2,2-dimethyl-1,1-dioxo-3,4-dihydrothiochromen-3-yl)-6-(1-methylimidazol-2-yl)-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-methylcyclopenten-1-yl)-2-[4-(4-methylpiperazin-1-yl)anilino]-8-(1,2,3,4-tetrahydroquinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-methyl-8-(1-methyl-2,2-dioxo-3,4-dihydro-2λ6,1-benzothiazin-3-yl)-2-[4-(1-methylpiperidin-3-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-methylphenyl)-2-(3-methyl-4-piperazin-1-ylanilino)-8-(4-oxo-2,3-dihydro-1H-naphthalen-2-yl)pyrido[2,3-d]pyrimidin-7-one.

What is the SMILES notation for 8-(2,2-dimethyl-1,1-dioxo-3,4-dihydrothiochromen-3-yl)-6-(1-methylimidazol-2-yl)-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-methylcyclopenten-1-yl)-2-[4-(4-methylpiperazin-1-yl)anilino]-8-(1,2,3,4-tetrahydroquinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-methyl-8-(1-methyl-2,2-dioxo-3,4-dihydro-2λ6,1-benzothiazin-3-yl)-2-[4-(1-methylpiperidin-3-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-methylphenyl)-2-(3-methyl-4-piperazin-1-ylanilino)-8-(4-oxo-2,3-dihydro-1H-naphthalen-2-yl)pyrido[2,3-d]pyrimidin-7-one?

The canonical SMILES for 8-(2,2-dimethyl-1,1-dioxo-3,4-dihydrothiochromen-3-yl)-6-(1-methylimidazol-2-yl)-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-methylcyclopenten-1-yl)-2-[4-(4-methylpiperazin-1-yl)anilino]-8-(1,2,3,4-tetrahydroquinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-methyl-8-(1-methyl-2,2-dioxo-3,4-dihydro-2λ6,1-benzothiazin-3-yl)-2-[4-(1-methylpiperidin-3-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-methylphenyl)-2-(3-methyl-4-piperazin-1-ylanilino)-8-(4-oxo-2,3-dihydro-1H-naphthalen-2-yl)pyrido[2,3-d]pyrimidin-7-one is CC1=C(c2cc3cnc(Nc4ccc(N5CCN(C)CC5)cc4)nc3n(C3CNc4ccccc4C3)c2=O)CCC1.CN1CCC(c2ccc(Nc3ncc4cc(-c5nccn5C)c(=O)n(C5Cc6ccccc6S(=O)(=O)C5(C)C)c4n3)cc2)CC1.Cc1cc2cnc(Nc3ccc(C4CCCN(C)C4)cc3)nc2n(C2Cc3ccccc3N(C)S2(=O)=O)c1=O.Cc1ccccc1-c1cc2cnc(Nc3ccc(N4CCNCC4)c(C)c3)nc2n(C2CC(=O)c3ccccc3C2)c1=O.

What is the InChIKey of 8-(2,2-dimethyl-1,1-dioxo-3,4-dihydrothiochromen-3-yl)-6-(1-methylimidazol-2-yl)-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-methylcyclopenten-1-yl)-2-[4-(4-methylpiperazin-1-yl)anilino]-8-(1,2,3,4-tetrahydroquinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-methyl-8-(1-methyl-2,2-dioxo-3,4-dihydro-2λ6,1-benzothiazin-3-yl)-2-[4-(1-methylpiperidin-3-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-methylphenyl)-2-(3-methyl-4-piperazin-1-ylanilino)-8-(4-oxo-2,3-dihydro-1H-naphthalen-2-yl)pyrido[2,3-d]pyrimidin-7-one?

The InChIKey is KLZORGWHIICKEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H34N6O2.C34H37N7O3S.C33H37N7O.C29H32N6O3S/c1-22-7-3-5-9-28(22)30-19-25-21-37-35(38-26-11-12-31(23(2)17-26)40-15-13-36-14-16-40)39-33(25)41(34(30)43)27-18-24-8-4-6-10-29(24)32(42)20-27;1-34(2)29(20-24-7-5-6-8-28(24)45(34,43)44)41-30-25(19-27(32(41)42)31-35-15-18-40(31)4)21-36-33(38-30)37-26-11-9-22(10-12-26)23-13-16-39(3)17-14-23;1-22-6-5-8-28(22)29-19-24-20-35-33(36-25-10-12-26(13-11-25)39-16-14-38(2)15-17-39)37-31(24)40(32(29)41)27-18-23-7-3-4-9-30(23)34-21-27;1-19-15-23-17-30-29(31-24-12-10-20(11-13-24)22-8-6-14-33(2)18-22)32-27(23)35(28(19)36)26-16-21-7-4-5-9-25(21)34(3)39(26,37)38/h3-12,17,19,21,27,36H,13-16,18,20H2,1-2H3,(H,37,38,39);5-12,15,18-19,21,23,29H,13-14,16-17,20H2,1-4H3,(H,36,37,38);3-4,7,9-13,19-20,27,34H,5-6,8,14-18,21H2,1-2H3,(H,35,36,37);4-5,7,9-13,15,17,22,26H,6,8,14,16,18H2,1-3H3,(H,30,31,32).

What are the key properties of 8-(2,2-dimethyl-1,1-dioxo-3,4-dihydrothiochromen-3-yl)-6-(1-methylimidazol-2-yl)-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-methylcyclopenten-1-yl)-2-[4-(4-methylpiperazin-1-yl)anilino]-8-(1,2,3,4-tetrahydroquinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-methyl-8-(1-methyl-2,2-dioxo-3,4-dihydro-2λ6,1-benzothiazin-3-yl)-2-[4-(1-methylpiperidin-3-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-methylphenyl)-2-(3-methyl-4-piperazin-1-ylanilino)-8-(4-oxo-2,3-dihydro-1H-naphthalen-2-yl)pyrido[2,3-d]pyrimidin-7-one?

8-(2,2-dimethyl-1,1-dioxo-3,4-dihydrothiochromen-3-yl)-6-(1-methylimidazol-2-yl)-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-methylcyclopenten-1-yl)-2-[4-(4-methylpiperazin-1-yl)anilino]-8-(1,2,3,4-tetrahydroquinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-methyl-8-(1-methyl-2,2-dioxo-3,4-dihydro-2λ6,1-benzothiazin-3-yl)-2-[4-(1-methylpiperidin-3-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-methylphenyl)-2-(3-methyl-4-piperazin-1-ylanilino)-8-(4-oxo-2,3-dihydro-1H-naphthalen-2-yl)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 2286.87 g/mol, XLogP of 20.32, 19 rotatable bonds, 6 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(2,2-dimethyl-1,1-dioxo-3,4-dihydrothiochromen-3-yl)-6-(1-methylimidazol-2-yl)-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-methylcyclopenten-1-yl)-2-[4-(4-methylpiperazin-1-yl)anilino]-8-(1,2,3,4-tetrahydroquinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-methyl-8-(1-methyl-2,2-dioxo-3,4-dihydro-2λ6,1-benzothiazin-3-yl)-2-[4-(1-methylpiperidin-3-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-methylphenyl)-2-(3-methyl-4-piperazin-1-ylanilino)-8-(4-oxo-2,3-dihydro-1H-naphthalen-2-yl)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 159173606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).