6-(4-cyclopentyl-2-fluorophenyl)-2-(4-thiomorpholin-2-ylanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-(6-cyclopentyl-2-methyl-3-pyridinyl)-8-(oxolan-3-yl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopentyl-4-methylpyrimidin-5-yl)-2-[4-(3-methylcyclopentyl)oxyanilino]-8-phenylpyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopropylpyrimidin-5-yl)-2-[4-(4-methylpiperazin-1-yl)anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-6-(5-methyl-2-pyrrolidin-2-ylpyrimidin-4-yl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one

C162H173F7N34O9S — CID 159992544

About 6-(4-cyclopentyl-2-fluorophenyl)-2-(4-thiomorpholin-2-ylanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-(6-cyclopentyl-2-methyl-3-pyridinyl)-8-(oxolan-3-yl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopentyl-4-methylpyrimidin-5-yl)-2-[4-(3-methylcyclopentyl)oxyanilino]-8-phenylpyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopropylpyrimidin-5-yl)-2-[4-(4-methylpiperazin-1-yl)anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-6-(5-methyl-2-pyrrolidin-2-ylpyrimidin-4-yl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one

6-(4-cyclopentyl-2-fluorophenyl)-2-(4-thiomorpholin-2-ylanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-(6-cyclopentyl-2-methyl-3-pyridinyl)-8-(oxolan-3-yl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopentyl-4-methylpyrimidin-5-yl)-2-[4-(3-methylcyclopentyl)oxyanilino]-8-phenylpyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopropylpyrimidin-5-yl)-2-[4-(4-methylpiperazin-1-yl)anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-6-(5-methyl-2-pyrrolidin-2-ylpyrimidin-4-yl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 159992544) has the molecular formula C162H173F7N34O9S and a molecular weight of 2905.45 g/mol. Its IUPAC name is 6-(4-cyclopentyl-2-fluorophenyl)-2-(4-thiomorpholin-2-ylanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-(6-cyclopentyl-2-methyl-3-pyridinyl)-8-(oxolan-3-yl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopentyl-4-methylpyrimidin-5-yl)-2-[4-(3-methylcyclopentyl)oxyanilino]-8-phenylpyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopropylpyrimidin-5-yl)-2-[4-(4-methylpiperazin-1-yl)anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-6-(5-methyl-2-pyrrolidin-2-ylpyrimidin-4-yl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 6-(4-cyclopentyl-2-fluorophenyl)-2-(4-thiomorpholin-2-ylanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-(6-cyclopentyl-2-methyl-3-pyridinyl)-8-(oxolan-3-yl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopentyl-4-methylpyrimidin-5-yl)-2-[4-(3-methylcyclopentyl)oxyanilino]-8-phenylpyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopropylpyrimidin-5-yl)-2-[4-(4-methylpiperazin-1-yl)anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-6-(5-methyl-2-pyrrolidin-2-ylpyrimidin-4-yl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 159992544
• Molecular Formula: C162H173F7N34O9S
• Molecular Weight: 2905.45 g/mol
• Exact Mass: 2903.37
• IUPAC Name: 6-(4-cyclopentyl-2-fluorophenyl)-2-(4-thiomorpholin-2-ylanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-(6-cyclopentyl-2-methyl-3-pyridinyl)-8-(oxolan-3-yl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopentyl-4-methylpyrimidin-5-yl)-2-[4-(3-methylcyclopentyl)oxyanilino]-8-phenylpyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopropylpyrimidin-5-yl)-2-[4-(4-methylpiperazin-1-yl)anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-6-(5-methyl-2-pyrrolidin-2-ylpyrimidin-4-yl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one
• SMILES: CN1CCN(c2ccc(Nc3ncc4cc(-c5cnc(C6CC6)nc5)c(=O)n(Cc5ccccc5C(F)(F)F)c4n3)cc2)CC1.Cc1cnc(C2CCCN2)nc1-c1cc2cnc(Nc3ccc(OC4CCNCC4)cc3)nc2n(CCN(C)C)c1=O.Cc1nc(C2CCCC2)ccc1-c1cc2cnc(Nc3ccc(OC4CCNCC4)cc3)nc2n(C2CCOC2)c1=O.Cc1nc(C2CCCC2)ncc1-c1cc2cnc(Nc3ccc(OC4CCC(C)C4)cc3)nc2n(-c2ccccc2)c1=O.O=c1c(-c2ccc(C3CCCC3)cc2F)cc2cnc(Nc3ccc(C4CNCCS4)cc3)nc2n1CC(F)(F)F
• InChI: InChI=1S/C35H36N6O2.C33H31F3N8O.C33H38N6O3.C31H39N9O2.C30H29F4N5OS/c1-22-12-15-29(18-22)43-28-16-13-26(14-17-28)39-35-37-20-25-19-30(31-21-36-32(38-23(31)2)24-8-6-7-9-24)34(42)41(33(25)40-35)27-10-4-3-5-11-27;1-42-12-14-43(15-13-42)26-10-8-25(9-11-26)40-32-39-17-23-16-27(24-18-37-29(38-19-24)21-6-7-21)31(45)44(30(23)41-32)20-22-4-2-3-5-28(22)33(34,35)36;1-21-28(10-11-30(36-21)22-4-2-3-5-22)29-18-23-19-35-33(38-31(23)39(32(29)40)25-14-17-41-20-25)37-24-6-8-26(9-7-24)42-27-12-15-34-16-13-27;1-20-18-34-28(26-5-4-12-33-26)37-27(20)25-17-21-19-35-31(38-29(21)40(30(25)41)16-15-39(2)3)36-22-6-8-23(9-7-22)42-24-10-13-32-14-11-24;31-25-14-20(18-3-1-2-4-18)7-10-23(25)24-13-21-15-36-29(38-27(21)39(28(24)40)17-30(32,33)34)37-22-8-5-19(6-9-22)26-16-35-11-12-41-26/h3-5,10-11,13-14,16-17,19-22,24,29H,6-9,12,15,18H2,1-2H3,(H,37,39,40);2-5,8-11,16-19,21H,6-7,12-15,20H2,1H3,(H,39,40,41);6-11,18-19,22,25,27,34H,2-5,12-17,20H2,1H3,(H,35,37,38);6-9,17-19,24,26,32-33H,4-5,10-16H2,1-3H3,(H,35,36,38);5-10,13-15,18,26,35H,1-4,11-12,16-17H2,(H,36,37,38)
• InChIKey: OHDBKOJWGYTXCL-UHFFFAOYSA-N
• XLogP: 29.21
• TPSA: 484.04 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 44
• Rotatable Bonds: 36
• Heavy Atoms: 213
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2905.45
LogP ≤ 5	29.21
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	44

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-(4-cyclopentyl-2-fluorophenyl)-2-(4-thiomorpholin-2-ylanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-(6-cyclopentyl-2-methyl-3-pyridinyl)-8-(oxolan-3-yl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopentyl-4-methylpyrimidin-5-yl)-2-[4-(3-methylcyclopentyl)oxyanilino]-8-phenylpyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopropylpyrimidin-5-yl)-2-[4-(4-methylpiperazin-1-yl)anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-6-(5-methyl-2-pyrrolidin-2-ylpyrimidin-4-yl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one?

The IUPAC name of 6-(4-cyclopentyl-2-fluorophenyl)-2-(4-thiomorpholin-2-ylanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-(6-cyclopentyl-2-methyl-3-pyridinyl)-8-(oxolan-3-yl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopentyl-4-methylpyrimidin-5-yl)-2-[4-(3-methylcyclopentyl)oxyanilino]-8-phenylpyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopropylpyrimidin-5-yl)-2-[4-(4-methylpiperazin-1-yl)anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-6-(5-methyl-2-pyrrolidin-2-ylpyrimidin-4-yl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one (CID 159992544) is 6-(4-cyclopentyl-2-fluorophenyl)-2-(4-thiomorpholin-2-ylanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-(6-cyclopentyl-2-methyl-3-pyridinyl)-8-(oxolan-3-yl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopentyl-4-methylpyrimidin-5-yl)-2-[4-(3-methylcyclopentyl)oxyanilino]-8-phenylpyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopropylpyrimidin-5-yl)-2-[4-(4-methylpiperazin-1-yl)anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-6-(5-methyl-2-pyrrolidin-2-ylpyrimidin-4-yl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one.

What is the SMILES notation for 6-(4-cyclopentyl-2-fluorophenyl)-2-(4-thiomorpholin-2-ylanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-(6-cyclopentyl-2-methyl-3-pyridinyl)-8-(oxolan-3-yl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopentyl-4-methylpyrimidin-5-yl)-2-[4-(3-methylcyclopentyl)oxyanilino]-8-phenylpyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopropylpyrimidin-5-yl)-2-[4-(4-methylpiperazin-1-yl)anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-6-(5-methyl-2-pyrrolidin-2-ylpyrimidin-4-yl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one?

The canonical SMILES for 6-(4-cyclopentyl-2-fluorophenyl)-2-(4-thiomorpholin-2-ylanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-(6-cyclopentyl-2-methyl-3-pyridinyl)-8-(oxolan-3-yl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopentyl-4-methylpyrimidin-5-yl)-2-[4-(3-methylcyclopentyl)oxyanilino]-8-phenylpyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopropylpyrimidin-5-yl)-2-[4-(4-methylpiperazin-1-yl)anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-6-(5-methyl-2-pyrrolidin-2-ylpyrimidin-4-yl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one is CN1CCN(c2ccc(Nc3ncc4cc(-c5cnc(C6CC6)nc5)c(=O)n(Cc5ccccc5C(F)(F)F)c4n3)cc2)CC1.Cc1cnc(C2CCCN2)nc1-c1cc2cnc(Nc3ccc(OC4CCNCC4)cc3)nc2n(CCN(C)C)c1=O.Cc1nc(C2CCCC2)ccc1-c1cc2cnc(Nc3ccc(OC4CCNCC4)cc3)nc2n(C2CCOC2)c1=O.Cc1nc(C2CCCC2)ncc1-c1cc2cnc(Nc3ccc(OC4CCC(C)C4)cc3)nc2n(-c2ccccc2)c1=O.O=c1c(-c2ccc(C3CCCC3)cc2F)cc2cnc(Nc3ccc(C4CNCCS4)cc3)nc2n1CC(F)(F)F.

What is the InChIKey of 6-(4-cyclopentyl-2-fluorophenyl)-2-(4-thiomorpholin-2-ylanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-(6-cyclopentyl-2-methyl-3-pyridinyl)-8-(oxolan-3-yl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopentyl-4-methylpyrimidin-5-yl)-2-[4-(3-methylcyclopentyl)oxyanilino]-8-phenylpyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopropylpyrimidin-5-yl)-2-[4-(4-methylpiperazin-1-yl)anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-6-(5-methyl-2-pyrrolidin-2-ylpyrimidin-4-yl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one?

The InChIKey is OHDBKOJWGYTXCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H36N6O2.C33H31F3N8O.C33H38N6O3.C31H39N9O2.C30H29F4N5OS/c1-22-12-15-29(18-22)43-28-16-13-26(14-17-28)39-35-37-20-25-19-30(31-21-36-32(38-23(31)2)24-8-6-7-9-24)34(42)41(33(25)40-35)27-10-4-3-5-11-27;1-42-12-14-43(15-13-42)26-10-8-25(9-11-26)40-32-39-17-23-16-27(24-18-37-29(38-19-24)21-6-7-21)31(45)44(30(23)41-32)20-22-4-2-3-5-28(22)33(34,35)36;1-21-28(10-11-30(36-21)22-4-2-3-5-22)29-18-23-19-35-33(38-31(23)39(32(29)40)25-14-17-41-20-25)37-24-6-8-26(9-7-24)42-27-12-15-34-16-13-27;1-20-18-34-28(26-5-4-12-33-26)37-27(20)25-17-21-19-35-31(38-29(21)40(30(25)41)16-15-39(2)3)36-22-6-8-23(9-7-22)42-24-10-13-32-14-11-24;31-25-14-20(18-3-1-2-4-18)7-10-23(25)24-13-21-15-36-29(38-27(21)39(28(24)40)17-30(32,33)34)37-22-8-5-19(6-9-22)26-16-35-11-12-41-26/h3-5,10-11,13-14,16-17,19-22,24,29H,6-9,12,15,18H2,1-2H3,(H,37,39,40);2-5,8-11,16-19,21H,6-7,12-15,20H2,1H3,(H,39,40,41);6-11,18-19,22,25,27,34H,2-5,12-17,20H2,1H3,(H,35,37,38);6-9,17-19,24,26,32-33H,4-5,10-16H2,1-3H3,(H,35,36,38);5-10,13-15,18,26,35H,1-4,11-12,16-17H2,(H,36,37,38).

What are the key properties of 6-(4-cyclopentyl-2-fluorophenyl)-2-(4-thiomorpholin-2-ylanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-(6-cyclopentyl-2-methyl-3-pyridinyl)-8-(oxolan-3-yl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopentyl-4-methylpyrimidin-5-yl)-2-[4-(3-methylcyclopentyl)oxyanilino]-8-phenylpyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopropylpyrimidin-5-yl)-2-[4-(4-methylpiperazin-1-yl)anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-6-(5-methyl-2-pyrrolidin-2-ylpyrimidin-4-yl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one?

6-(4-cyclopentyl-2-fluorophenyl)-2-(4-thiomorpholin-2-ylanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-(6-cyclopentyl-2-methyl-3-pyridinyl)-8-(oxolan-3-yl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopentyl-4-methylpyrimidin-5-yl)-2-[4-(3-methylcyclopentyl)oxyanilino]-8-phenylpyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopropylpyrimidin-5-yl)-2-[4-(4-methylpiperazin-1-yl)anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-6-(5-methyl-2-pyrrolidin-2-ylpyrimidin-4-yl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 2905.45 g/mol, XLogP of 29.21, 36 rotatable bonds, 9 hydrogen bond donors, and 44 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(4-cyclopentyl-2-fluorophenyl)-2-(4-thiomorpholin-2-ylanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-(6-cyclopentyl-2-methyl-3-pyridinyl)-8-(oxolan-3-yl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopentyl-4-methylpyrimidin-5-yl)-2-[4-(3-methylcyclopentyl)oxyanilino]-8-phenylpyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopropylpyrimidin-5-yl)-2-[4-(4-methylpiperazin-1-yl)anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-6-(5-methyl-2-pyrrolidin-2-ylpyrimidin-4-yl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 159992544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).