6-[2-chloro-4-(1-methylpyrrolidin-3-yl)phenyl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[4-chloro-2-(1-methylpyrrolidin-2-yl)phenyl]-2-[4-(piperidin-4-ylamino)anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-6-[3,5-dimethyl-1-(1,3-thiazol-5-yl)pyrazol-4-yl]-2-(3-methyl-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;methane;6-(5-methyl-2-thiophen-3-yl-1,3-thiazol-4-yl)-8-phenyl-2-[4-(piperidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one

C126H135Cl2F3N32O4S4 — CID 158582146

About 6-[2-chloro-4-(1-methylpyrrolidin-3-yl)phenyl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[4-chloro-2-(1-methylpyrrolidin-2-yl)phenyl]-2-[4-(piperidin-4-ylamino)anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-6-[3,5-dimethyl-1-(1,3-thiazol-5-yl)pyrazol-4-yl]-2-(3-methyl-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;methane;6-(5-methyl-2-thiophen-3-yl-1,3-thiazol-4-yl)-8-phenyl-2-[4-(piperidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one

6-[2-chloro-4-(1-methylpyrrolidin-3-yl)phenyl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[4-chloro-2-(1-methylpyrrolidin-2-yl)phenyl]-2-[4-(piperidin-4-ylamino)anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-6-[3,5-dimethyl-1-(1,3-thiazol-5-yl)pyrazol-4-yl]-2-(3-methyl-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;methane;6-(5-methyl-2-thiophen-3-yl-1,3-thiazol-4-yl)-8-phenyl-2-[4-(piperidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 158582146) has the molecular formula C126H135Cl2F3N32O4S4 and a molecular weight of 2417.85 g/mol. Its IUPAC name is 6-[2-chloro-4-(1-methylpyrrolidin-3-yl)phenyl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[4-chloro-2-(1-methylpyrrolidin-2-yl)phenyl]-2-[4-(piperidin-4-ylamino)anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-6-[3,5-dimethyl-1-(1,3-thiazol-5-yl)pyrazol-4-yl]-2-(3-methyl-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;methane;6-(5-methyl-2-thiophen-3-yl-1,3-thiazol-4-yl)-8-phenyl-2-[4-(piperidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 6-[2-chloro-4-(1-methylpyrrolidin-3-yl)phenyl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[4-chloro-2-(1-methylpyrrolidin-2-yl)phenyl]-2-[4-(piperidin-4-ylamino)anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-6-[3,5-dimethyl-1-(1,3-thiazol-5-yl)pyrazol-4-yl]-2-(3-methyl-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;methane;6-(5-methyl-2-thiophen-3-yl-1,3-thiazol-4-yl)-8-phenyl-2-[4-(piperidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 158582146
• Molecular Formula: C126H135Cl2F3N32O4S4
• Molecular Weight: 2417.85 g/mol
• Exact Mass: 2414.96
• IUPAC Name: 6-[2-chloro-4-(1-methylpyrrolidin-3-yl)phenyl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[4-chloro-2-(1-methylpyrrolidin-2-yl)phenyl]-2-[4-(piperidin-4-ylamino)anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-6-[3,5-dimethyl-1-(1,3-thiazol-5-yl)pyrazol-4-yl]-2-(3-methyl-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;methane;6-(5-methyl-2-thiophen-3-yl-1,3-thiazol-4-yl)-8-phenyl-2-[4-(piperidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one
• SMILES: C.CN1CCC(Nc2ccc(Nc3ncc4cc(-c5ccc(C6CCN(C)C6)cc5Cl)c(=O)n(-c5nccs5)c4n3)cc2)C1.CN1CCCC1c1cc(Cl)ccc1-c1cc2cnc(Nc3ccc(NC4CCNCC4)cc3)nc2n(CC(F)(F)F)c1=O.Cc1cc(Nc2ncc3cc(-c4c(C)nn(-c5cncs5)c4C)c(=O)n(CCN(C)C)c3n2)ccc1N1CCNCC1.Cc1sc(-c2ccsc2)nc1-c1cc2cnc(Nc3ccc(NC4CCCNC4)cc3)nc2n(-c2ccccc2)c1=O
• InChI: InChI=1S/C32H33ClN8OS.C32H29N7OS2.C31H33ClF3N7O.C30H36N10OS.CH4/c1-39-12-9-21(18-39)20-3-8-26(28(33)16-20)27-15-22-17-35-31(38-29(22)41(30(27)42)32-34-11-14-43-32)37-24-6-4-23(5-7-24)36-25-10-13-40(2)19-25;1-20-28(37-30(42-20)21-13-15-41-19-21)27-16-22-17-34-32(38-29(22)39(31(27)40)26-7-3-2-4-8-26)36-24-11-9-23(10-12-24)35-25-6-5-14-33-18-25;1-41-14-2-3-27(41)25-16-20(32)4-9-24(25)26-15-19-17-37-30(40-28(19)42(29(26)43)18-31(33,34)35)39-22-7-5-21(6-8-22)38-23-10-12-36-13-11-23;1-19-14-23(6-7-25(19)38-10-8-31-9-11-38)34-30-33-16-22-15-24(29(41)39(28(22)35-30)13-12-37(4)5)27-20(2)36-40(21(27)3)26-17-32-18-42-26;/h3-8,11,14-17,21,25,36H,9-10,12-13,18-19H2,1-2H3,(H,35,37,38);2-4,7-13,15-17,19,25,33,35H,5-6,14,18H2,1H3,(H,34,36,38);4-9,15-17,23,27,36,38H,2-3,10-14,18H2,1H3,(H,37,39,40);6-7,14-18,31H,8-13H2,1-5H3,(H,33,34,35);1H4
• InChIKey: HTJOUYASTSXEJT-UHFFFAOYSA-N
• XLogP: 23.41
• TPSA: 384.11 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 40
• Rotatable Bonds: 29
• Heavy Atoms: 171
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2417.85
LogP ≤ 5	23.41
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	40

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-chloro-4-(1-methylpyrrolidin-3-yl)phenyl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[4-chloro-2-(1-methylpyrrolidin-2-yl)phenyl]-2-[4-(piperidin-4-ylamino)anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-6-[3,5-dimethyl-1-(1,3-thiazol-5-yl)pyrazol-4-yl]-2-(3-methyl-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;methane;6-(5-methyl-2-thiophen-3-yl-1,3-thiazol-4-yl)-8-phenyl-2-[4-(piperidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one?

The IUPAC name of 6-[2-chloro-4-(1-methylpyrrolidin-3-yl)phenyl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[4-chloro-2-(1-methylpyrrolidin-2-yl)phenyl]-2-[4-(piperidin-4-ylamino)anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-6-[3,5-dimethyl-1-(1,3-thiazol-5-yl)pyrazol-4-yl]-2-(3-methyl-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;methane;6-(5-methyl-2-thiophen-3-yl-1,3-thiazol-4-yl)-8-phenyl-2-[4-(piperidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one (CID 158582146) is 6-[2-chloro-4-(1-methylpyrrolidin-3-yl)phenyl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[4-chloro-2-(1-methylpyrrolidin-2-yl)phenyl]-2-[4-(piperidin-4-ylamino)anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-6-[3,5-dimethyl-1-(1,3-thiazol-5-yl)pyrazol-4-yl]-2-(3-methyl-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;methane;6-(5-methyl-2-thiophen-3-yl-1,3-thiazol-4-yl)-8-phenyl-2-[4-(piperidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one.

What is the SMILES notation for 6-[2-chloro-4-(1-methylpyrrolidin-3-yl)phenyl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[4-chloro-2-(1-methylpyrrolidin-2-yl)phenyl]-2-[4-(piperidin-4-ylamino)anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-6-[3,5-dimethyl-1-(1,3-thiazol-5-yl)pyrazol-4-yl]-2-(3-methyl-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;methane;6-(5-methyl-2-thiophen-3-yl-1,3-thiazol-4-yl)-8-phenyl-2-[4-(piperidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one?

The canonical SMILES for 6-[2-chloro-4-(1-methylpyrrolidin-3-yl)phenyl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[4-chloro-2-(1-methylpyrrolidin-2-yl)phenyl]-2-[4-(piperidin-4-ylamino)anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-6-[3,5-dimethyl-1-(1,3-thiazol-5-yl)pyrazol-4-yl]-2-(3-methyl-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;methane;6-(5-methyl-2-thiophen-3-yl-1,3-thiazol-4-yl)-8-phenyl-2-[4-(piperidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one is C.CN1CCC(Nc2ccc(Nc3ncc4cc(-c5ccc(C6CCN(C)C6)cc5Cl)c(=O)n(-c5nccs5)c4n3)cc2)C1.CN1CCCC1c1cc(Cl)ccc1-c1cc2cnc(Nc3ccc(NC4CCNCC4)cc3)nc2n(CC(F)(F)F)c1=O.Cc1cc(Nc2ncc3cc(-c4c(C)nn(-c5cncs5)c4C)c(=O)n(CCN(C)C)c3n2)ccc1N1CCNCC1.Cc1sc(-c2ccsc2)nc1-c1cc2cnc(Nc3ccc(NC4CCCNC4)cc3)nc2n(-c2ccccc2)c1=O.

What is the InChIKey of 6-[2-chloro-4-(1-methylpyrrolidin-3-yl)phenyl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[4-chloro-2-(1-methylpyrrolidin-2-yl)phenyl]-2-[4-(piperidin-4-ylamino)anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-6-[3,5-dimethyl-1-(1,3-thiazol-5-yl)pyrazol-4-yl]-2-(3-methyl-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;methane;6-(5-methyl-2-thiophen-3-yl-1,3-thiazol-4-yl)-8-phenyl-2-[4-(piperidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one?

The InChIKey is HTJOUYASTSXEJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33ClN8OS.C32H29N7OS2.C31H33ClF3N7O.C30H36N10OS.CH4/c1-39-12-9-21(18-39)20-3-8-26(28(33)16-20)27-15-22-17-35-31(38-29(22)41(30(27)42)32-34-11-14-43-32)37-24-6-4-23(5-7-24)36-25-10-13-40(2)19-25;1-20-28(37-30(42-20)21-13-15-41-19-21)27-16-22-17-34-32(38-29(22)39(31(27)40)26-7-3-2-4-8-26)36-24-11-9-23(10-12-24)35-25-6-5-14-33-18-25;1-41-14-2-3-27(41)25-16-20(32)4-9-24(25)26-15-19-17-37-30(40-28(19)42(29(26)43)18-31(33,34)35)39-22-7-5-21(6-8-22)38-23-10-12-36-13-11-23;1-19-14-23(6-7-25(19)38-10-8-31-9-11-38)34-30-33-16-22-15-24(29(41)39(28(22)35-30)13-12-37(4)5)27-20(2)36-40(21(27)3)26-17-32-18-42-26;/h3-8,11,14-17,21,25,36H,9-10,12-13,18-19H2,1-2H3,(H,35,37,38);2-4,7-13,15-17,19,25,33,35H,5-6,14,18H2,1H3,(H,34,36,38);4-9,15-17,23,27,36,38H,2-3,10-14,18H2,1H3,(H,37,39,40);6-7,14-18,31H,8-13H2,1-5H3,(H,33,34,35);1H4.

What are the key properties of 6-[2-chloro-4-(1-methylpyrrolidin-3-yl)phenyl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[4-chloro-2-(1-methylpyrrolidin-2-yl)phenyl]-2-[4-(piperidin-4-ylamino)anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-6-[3,5-dimethyl-1-(1,3-thiazol-5-yl)pyrazol-4-yl]-2-(3-methyl-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;methane;6-(5-methyl-2-thiophen-3-yl-1,3-thiazol-4-yl)-8-phenyl-2-[4-(piperidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one?

6-[2-chloro-4-(1-methylpyrrolidin-3-yl)phenyl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[4-chloro-2-(1-methylpyrrolidin-2-yl)phenyl]-2-[4-(piperidin-4-ylamino)anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-6-[3,5-dimethyl-1-(1,3-thiazol-5-yl)pyrazol-4-yl]-2-(3-methyl-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;methane;6-(5-methyl-2-thiophen-3-yl-1,3-thiazol-4-yl)-8-phenyl-2-[4-(piperidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 2417.85 g/mol, XLogP of 23.41, 29 rotatable bonds, 10 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-chloro-4-(1-methylpyrrolidin-3-yl)phenyl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[4-chloro-2-(1-methylpyrrolidin-2-yl)phenyl]-2-[4-(piperidin-4-ylamino)anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-6-[3,5-dimethyl-1-(1,3-thiazol-5-yl)pyrazol-4-yl]-2-(3-methyl-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;methane;6-(5-methyl-2-thiophen-3-yl-1,3-thiazol-4-yl)-8-phenyl-2-[4-(piperidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 158582146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).