2-(3-chloro-4-piperazin-1-ylanilino)-6-(1-methylimidazol-2-yl)-8-(3-oxo-2,4-dihydro-1H-naphthalen-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-(diethylamino)-2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-8-(1,2,3,4-tetrahydroquinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-[1-(dimethylamino)ethenyl]-8-(2,2-dimethyl-1,1-dioxo-3,4-dihydrothiochromen-3-yl)-2-[4-(4-methylthiomorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-6-methyl-8-(4-oxo-2,3-dihydro-1H-naphthalen-2-yl)pyrido[2,3-d]pyrimidin-7-one

C124H133ClF2N28O8S2 — CID 162170193

About 2-(3-chloro-4-piperazin-1-ylanilino)-6-(1-methylimidazol-2-yl)-8-(3-oxo-2,4-dihydro-1H-naphthalen-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-(diethylamino)-2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-8-(1,2,3,4-tetrahydroquinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-[1-(dimethylamino)ethenyl]-8-(2,2-dimethyl-1,1-dioxo-3,4-dihydrothiochromen-3-yl)-2-[4-(4-methylthiomorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-6-methyl-8-(4-oxo-2,3-dihydro-1H-naphthalen-2-yl)pyrido[2,3-d]pyrimidin-7-one

2-(3-chloro-4-piperazin-1-ylanilino)-6-(1-methylimidazol-2-yl)-8-(3-oxo-2,4-dihydro-1H-naphthalen-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-(diethylamino)-2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-8-(1,2,3,4-tetrahydroquinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-[1-(dimethylamino)ethenyl]-8-(2,2-dimethyl-1,1-dioxo-3,4-dihydrothiochromen-3-yl)-2-[4-(4-methylthiomorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-6-methyl-8-(4-oxo-2,3-dihydro-1H-naphthalen-2-yl)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 162170193) has the molecular formula C124H133ClF2N28O8S2 and a molecular weight of 2281.20 g/mol. Its IUPAC name is 2-(3-chloro-4-piperazin-1-ylanilino)-6-(1-methylimidazol-2-yl)-8-(3-oxo-2,4-dihydro-1H-naphthalen-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-(diethylamino)-2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-8-(1,2,3,4-tetrahydroquinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-[1-(dimethylamino)ethenyl]-8-(2,2-dimethyl-1,1-dioxo-3,4-dihydrothiochromen-3-yl)-2-[4-(4-methylthiomorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-6-methyl-8-(4-oxo-2,3-dihydro-1H-naphthalen-2-yl)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 2-(3-chloro-4-piperazin-1-ylanilino)-6-(1-methylimidazol-2-yl)-8-(3-oxo-2,4-dihydro-1H-naphthalen-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-(diethylamino)-2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-8-(1,2,3,4-tetrahydroquinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-[1-(dimethylamino)ethenyl]-8-(2,2-dimethyl-1,1-dioxo-3,4-dihydrothiochromen-3-yl)-2-[4-(4-methylthiomorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-6-methyl-8-(4-oxo-2,3-dihydro-1H-naphthalen-2-yl)pyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 162170193
• Molecular Formula: C124H133ClF2N28O8S2
• Molecular Weight: 2281.20 g/mol
• Exact Mass: 2279.00
• IUPAC Name: 2-(3-chloro-4-piperazin-1-ylanilino)-6-(1-methylimidazol-2-yl)-8-(3-oxo-2,4-dihydro-1H-naphthalen-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-(diethylamino)-2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-8-(1,2,3,4-tetrahydroquinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-[1-(dimethylamino)ethenyl]-8-(2,2-dimethyl-1,1-dioxo-3,4-dihydrothiochromen-3-yl)-2-[4-(4-methylthiomorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-6-methyl-8-(4-oxo-2,3-dihydro-1H-naphthalen-2-yl)pyrido[2,3-d]pyrimidin-7-one
• SMILES: C=C(c1cc2cnc(Nc3ccc(C4CN(C)CCS4)cc3)nc2n(C2Cc3ccccc3S(=O)(=O)C2(C)C)c1=O)N(C)C.CCN(CC)c1cc2cnc(Nc3ccc(N4CCNC(C)C4)c(F)c3)nc2n(C2CNc3ccccc3C2)c1=O.Cc1cc2cnc(Nc3ccc(N4CCNCC4C)c(F)c3)nc2n(C2CC(=O)c3ccccc3C2)c1=O.Cn1ccnc1-c1cc2cnc(Nc3ccc(N4CCNCC4)c(Cl)c3)nc2n(C2Cc3ccccc3CC2=O)c1=O
• InChI: InChI=1S/C33H38N6O3S2.C31H29ClN8O2.C31H37FN8O.C29H29FN6O2/c1-21(37(4)5)26-17-24-19-34-32(35-25-13-11-22(12-14-25)27-20-38(6)15-16-43-27)36-30(24)39(31(26)40)29-18-23-9-7-8-10-28(23)44(41,42)33(29,2)3;1-38-11-10-34-29(38)23-14-21-18-35-31(36-22-6-7-25(24(32)17-22)39-12-8-33-9-13-39)37-28(21)40(30(23)42)26-15-19-4-2-3-5-20(19)16-27(26)41;1-4-38(5-2)28-15-22-17-35-31(36-23-10-11-27(25(32)16-23)39-13-12-33-20(3)19-39)37-29(22)40(30(28)41)24-14-21-8-6-7-9-26(21)34-18-24;1-17-11-20-16-32-29(33-21-7-8-25(24(30)13-21)35-10-9-31-15-18(35)2)34-27(20)36(28(17)38)22-12-19-5-3-4-6-23(19)26(37)14-22/h7-14,17,19,27,29H,1,15-16,18,20H2,2-6H3,(H,34,35,36);2-7,10-11,14,17-18,26,33H,8-9,12-13,15-16H2,1H3,(H,35,36,37);6-11,15-17,20,24,33-34H,4-5,12-14,18-19H2,1-3H3,(H,35,36,37);3-8,11,13,16,18,22,31H,9-10,12,14-15H2,1-2H3,(H,32,33,34)
• InChIKey: ZNRLMHJTGXBHDU-UHFFFAOYSA-N
• XLogP: 17.72
• TPSA: 392.90 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 37
• Rotatable Bonds: 22
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2281.20
LogP ≤ 5	17.72
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-piperazin-1-ylanilino)-6-(1-methylimidazol-2-yl)-8-(3-oxo-2,4-dihydro-1H-naphthalen-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-(diethylamino)-2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-8-(1,2,3,4-tetrahydroquinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-[1-(dimethylamino)ethenyl]-8-(2,2-dimethyl-1,1-dioxo-3,4-dihydrothiochromen-3-yl)-2-[4-(4-methylthiomorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-6-methyl-8-(4-oxo-2,3-dihydro-1H-naphthalen-2-yl)pyrido[2,3-d]pyrimidin-7-one?

The IUPAC name of 2-(3-chloro-4-piperazin-1-ylanilino)-6-(1-methylimidazol-2-yl)-8-(3-oxo-2,4-dihydro-1H-naphthalen-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-(diethylamino)-2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-8-(1,2,3,4-tetrahydroquinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-[1-(dimethylamino)ethenyl]-8-(2,2-dimethyl-1,1-dioxo-3,4-dihydrothiochromen-3-yl)-2-[4-(4-methylthiomorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-6-methyl-8-(4-oxo-2,3-dihydro-1H-naphthalen-2-yl)pyrido[2,3-d]pyrimidin-7-one (CID 162170193) is 2-(3-chloro-4-piperazin-1-ylanilino)-6-(1-methylimidazol-2-yl)-8-(3-oxo-2,4-dihydro-1H-naphthalen-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-(diethylamino)-2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-8-(1,2,3,4-tetrahydroquinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-[1-(dimethylamino)ethenyl]-8-(2,2-dimethyl-1,1-dioxo-3,4-dihydrothiochromen-3-yl)-2-[4-(4-methylthiomorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-6-methyl-8-(4-oxo-2,3-dihydro-1H-naphthalen-2-yl)pyrido[2,3-d]pyrimidin-7-one.

What is the SMILES notation for 2-(3-chloro-4-piperazin-1-ylanilino)-6-(1-methylimidazol-2-yl)-8-(3-oxo-2,4-dihydro-1H-naphthalen-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-(diethylamino)-2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-8-(1,2,3,4-tetrahydroquinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-[1-(dimethylamino)ethenyl]-8-(2,2-dimethyl-1,1-dioxo-3,4-dihydrothiochromen-3-yl)-2-[4-(4-methylthiomorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-6-methyl-8-(4-oxo-2,3-dihydro-1H-naphthalen-2-yl)pyrido[2,3-d]pyrimidin-7-one?

The canonical SMILES for 2-(3-chloro-4-piperazin-1-ylanilino)-6-(1-methylimidazol-2-yl)-8-(3-oxo-2,4-dihydro-1H-naphthalen-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-(diethylamino)-2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-8-(1,2,3,4-tetrahydroquinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-[1-(dimethylamino)ethenyl]-8-(2,2-dimethyl-1,1-dioxo-3,4-dihydrothiochromen-3-yl)-2-[4-(4-methylthiomorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-6-methyl-8-(4-oxo-2,3-dihydro-1H-naphthalen-2-yl)pyrido[2,3-d]pyrimidin-7-one is C=C(c1cc2cnc(Nc3ccc(C4CN(C)CCS4)cc3)nc2n(C2Cc3ccccc3S(=O)(=O)C2(C)C)c1=O)N(C)C.CCN(CC)c1cc2cnc(Nc3ccc(N4CCNC(C)C4)c(F)c3)nc2n(C2CNc3ccccc3C2)c1=O.Cc1cc2cnc(Nc3ccc(N4CCNCC4C)c(F)c3)nc2n(C2CC(=O)c3ccccc3C2)c1=O.Cn1ccnc1-c1cc2cnc(Nc3ccc(N4CCNCC4)c(Cl)c3)nc2n(C2Cc3ccccc3CC2=O)c1=O.

What is the InChIKey of 2-(3-chloro-4-piperazin-1-ylanilino)-6-(1-methylimidazol-2-yl)-8-(3-oxo-2,4-dihydro-1H-naphthalen-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-(diethylamino)-2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-8-(1,2,3,4-tetrahydroquinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-[1-(dimethylamino)ethenyl]-8-(2,2-dimethyl-1,1-dioxo-3,4-dihydrothiochromen-3-yl)-2-[4-(4-methylthiomorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-6-methyl-8-(4-oxo-2,3-dihydro-1H-naphthalen-2-yl)pyrido[2,3-d]pyrimidin-7-one?

The InChIKey is ZNRLMHJTGXBHDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H38N6O3S2.C31H29ClN8O2.C31H37FN8O.C29H29FN6O2/c1-21(37(4)5)26-17-24-19-34-32(35-25-13-11-22(12-14-25)27-20-38(6)15-16-43-27)36-30(24)39(31(26)40)29-18-23-9-7-8-10-28(23)44(41,42)33(29,2)3;1-38-11-10-34-29(38)23-14-21-18-35-31(36-22-6-7-25(24(32)17-22)39-12-8-33-9-13-39)37-28(21)40(30(23)42)26-15-19-4-2-3-5-20(19)16-27(26)41;1-4-38(5-2)28-15-22-17-35-31(36-23-10-11-27(25(32)16-23)39-13-12-33-20(3)19-39)37-29(22)40(30(28)41)24-14-21-8-6-7-9-26(21)34-18-24;1-17-11-20-16-32-29(33-21-7-8-25(24(30)13-21)35-10-9-31-15-18(35)2)34-27(20)36(28(17)38)22-12-19-5-3-4-6-23(19)26(37)14-22/h7-14,17,19,27,29H,1,15-16,18,20H2,2-6H3,(H,34,35,36);2-7,10-11,14,17-18,26,33H,8-9,12-13,15-16H2,1H3,(H,35,36,37);6-11,15-17,20,24,33-34H,4-5,12-14,18-19H2,1-3H3,(H,35,36,37);3-8,11,13,16,18,22,31H,9-10,12,14-15H2,1-2H3,(H,32,33,34).

What are the key properties of 2-(3-chloro-4-piperazin-1-ylanilino)-6-(1-methylimidazol-2-yl)-8-(3-oxo-2,4-dihydro-1H-naphthalen-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-(diethylamino)-2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-8-(1,2,3,4-tetrahydroquinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-[1-(dimethylamino)ethenyl]-8-(2,2-dimethyl-1,1-dioxo-3,4-dihydrothiochromen-3-yl)-2-[4-(4-methylthiomorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-6-methyl-8-(4-oxo-2,3-dihydro-1H-naphthalen-2-yl)pyrido[2,3-d]pyrimidin-7-one?

2-(3-chloro-4-piperazin-1-ylanilino)-6-(1-methylimidazol-2-yl)-8-(3-oxo-2,4-dihydro-1H-naphthalen-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-(diethylamino)-2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-8-(1,2,3,4-tetrahydroquinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-[1-(dimethylamino)ethenyl]-8-(2,2-dimethyl-1,1-dioxo-3,4-dihydrothiochromen-3-yl)-2-[4-(4-methylthiomorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-6-methyl-8-(4-oxo-2,3-dihydro-1H-naphthalen-2-yl)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 2281.20 g/mol, XLogP of 17.72, 22 rotatable bonds, 8 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-chloro-4-piperazin-1-ylanilino)-6-(1-methylimidazol-2-yl)-8-(3-oxo-2,4-dihydro-1H-naphthalen-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-(diethylamino)-2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-8-(1,2,3,4-tetrahydroquinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-[1-(dimethylamino)ethenyl]-8-(2,2-dimethyl-1,1-dioxo-3,4-dihydrothiochromen-3-yl)-2-[4-(4-methylthiomorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-6-methyl-8-(4-oxo-2,3-dihydro-1H-naphthalen-2-yl)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 162170193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).