6-(4-cyclopentyl-2-fluorophenyl)-2-[4-(thian-2-yl)anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopentyl-4-methylpyrimidin-5-yl)-2-[4-(4-methylmorpholin-2-yl)anilino]-8-phenylpyrido[2,3-d]pyrimidin-7-one;6-(3,5-dimethyl-1-pyridin-4-ylpyrazol-4-yl)-2-(3-fluoro-4-piperazin-1-ylanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-(5-methyl-2-phenyl-1,3-thiazol-4-yl)-2-[4-[(1-methylpiperidin-3-yl)methyl]anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-[(1-methylpiperidin-4-yl)methyl]anilino]-6-(4-methyl-2-pyridin-2-ylphenyl)-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one

C167H167F5N34O7S4 — CID 158579270

About 6-(4-cyclopentyl-2-fluorophenyl)-2-[4-(thian-2-yl)anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopentyl-4-methylpyrimidin-5-yl)-2-[4-(4-methylmorpholin-2-yl)anilino]-8-phenylpyrido[2,3-d]pyrimidin-7-one;6-(3,5-dimethyl-1-pyridin-4-ylpyrazol-4-yl)-2-(3-fluoro-4-piperazin-1-ylanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-(5-methyl-2-phenyl-1,3-thiazol-4-yl)-2-[4-[(1-methylpiperidin-3-yl)methyl]anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-[(1-methylpiperidin-4-yl)methyl]anilino]-6-(4-methyl-2-pyridin-2-ylphenyl)-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one

6-(4-cyclopentyl-2-fluorophenyl)-2-[4-(thian-2-yl)anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopentyl-4-methylpyrimidin-5-yl)-2-[4-(4-methylmorpholin-2-yl)anilino]-8-phenylpyrido[2,3-d]pyrimidin-7-one;6-(3,5-dimethyl-1-pyridin-4-ylpyrazol-4-yl)-2-(3-fluoro-4-piperazin-1-ylanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-(5-methyl-2-phenyl-1,3-thiazol-4-yl)-2-[4-[(1-methylpiperidin-3-yl)methyl]anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-[(1-methylpiperidin-4-yl)methyl]anilino]-6-(4-methyl-2-pyridin-2-ylphenyl)-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 158579270) has the molecular formula C167H167F5N34O7S4 and a molecular weight of 2985.66 g/mol. Its IUPAC name is 6-(4-cyclopentyl-2-fluorophenyl)-2-[4-(thian-2-yl)anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopentyl-4-methylpyrimidin-5-yl)-2-[4-(4-methylmorpholin-2-yl)anilino]-8-phenylpyrido[2,3-d]pyrimidin-7-one;6-(3,5-dimethyl-1-pyridin-4-ylpyrazol-4-yl)-2-(3-fluoro-4-piperazin-1-ylanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-(5-methyl-2-phenyl-1,3-thiazol-4-yl)-2-[4-[(1-methylpiperidin-3-yl)methyl]anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-[(1-methylpiperidin-4-yl)methyl]anilino]-6-(4-methyl-2-pyridin-2-ylphenyl)-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 6-(4-cyclopentyl-2-fluorophenyl)-2-[4-(thian-2-yl)anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopentyl-4-methylpyrimidin-5-yl)-2-[4-(4-methylmorpholin-2-yl)anilino]-8-phenylpyrido[2,3-d]pyrimidin-7-one;6-(3,5-dimethyl-1-pyridin-4-ylpyrazol-4-yl)-2-(3-fluoro-4-piperazin-1-ylanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-(5-methyl-2-phenyl-1,3-thiazol-4-yl)-2-[4-[(1-methylpiperidin-3-yl)methyl]anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-[(1-methylpiperidin-4-yl)methyl]anilino]-6-(4-methyl-2-pyridin-2-ylphenyl)-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 158579270
• Molecular Formula: C167H167F5N34O7S4
• Molecular Weight: 2985.66 g/mol
• Exact Mass: 2983.26
• IUPAC Name: 6-(4-cyclopentyl-2-fluorophenyl)-2-[4-(thian-2-yl)anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopentyl-4-methylpyrimidin-5-yl)-2-[4-(4-methylmorpholin-2-yl)anilino]-8-phenylpyrido[2,3-d]pyrimidin-7-one;6-(3,5-dimethyl-1-pyridin-4-ylpyrazol-4-yl)-2-(3-fluoro-4-piperazin-1-ylanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-(5-methyl-2-phenyl-1,3-thiazol-4-yl)-2-[4-[(1-methylpiperidin-3-yl)methyl]anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-[(1-methylpiperidin-4-yl)methyl]anilino]-6-(4-methyl-2-pyridin-2-ylphenyl)-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one
• SMILES: Cc1ccc(-c2cc3cnc(Nc4ccc(CC5CCN(C)CC5)cc4)nc3n(CC3CCOCC3)c2=O)c(-c2ccccn2)c1.Cc1nc(C2CCCC2)ncc1-c1cc2cnc(Nc3ccc(C4CN(C)CCO4)cc3)nc2n(-c2ccccc2)c1=O.Cc1nn(-c2ccncc2)c(C)c1-c1cc2cnc(Nc3ccc(N4CCNCC4)c(F)c3)nc2n(-c2nccs2)c1=O.Cc1sc(-c2ccccc2)nc1-c1cc2cnc(Nc3ccc(CC4CCCN(C)C4)cc3)nc2n(Cc2nccs2)c1=O.O=c1c(-c2ccc(C3CCCC3)cc2F)cc2cnc(Nc3ccc(C4CCCCS4)cc3)nc2n1CC(F)(F)F
• InChI: InChI=1S/C38H42N6O2.C34H35N7O2.C34H33N7OS2.C31H30F4N4OS.C30H27FN10OS/c1-26-6-11-32(33(21-26)35-5-3-4-16-39-35)34-23-30-24-40-38(42-36(30)44(37(34)45)25-29-14-19-46-20-15-29)41-31-9-7-27(8-10-31)22-28-12-17-43(2)18-13-28;1-22-29(20-35-31(37-22)24-8-6-7-9-24)28-18-25-19-36-34(39-32(25)41(33(28)42)27-10-4-3-5-11-27)38-26-14-12-23(13-15-26)30-21-40(2)16-17-43-30;1-22-30(38-32(44-22)25-8-4-3-5-9-25)28-18-26-19-36-34(39-31(26)41(33(28)42)21-29-35-14-16-43-29)37-27-12-10-23(11-13-27)17-24-7-6-15-40(2)20-24;32-26-16-21(19-5-1-2-6-19)10-13-24(26)25-15-22-17-36-30(38-28(22)39(29(25)40)18-31(33,34)35)37-23-11-8-20(9-12-23)27-7-3-4-14-41-27;1-18-26(19(2)41(38-18)22-5-7-32-8-6-22)23-15-20-17-35-29(37-27(20)40(28(23)42)30-34-11-14-43-30)36-21-3-4-25(24(31)16-21)39-12-9-33-10-13-39/h3-11,16,21,23-24,28-29H,12-15,17-20,22,25H2,1-2H3,(H,40,41,42);3-5,10-15,18-20,24,30H,6-9,16-17,21H2,1-2H3,(H,36,38,39);3-5,8-14,16,18-19,24H,6-7,15,17,20-21H2,1-2H3,(H,36,37,39);8-13,15-17,19,27H,1-7,14,18H2,(H,36,37,38);3-8,11,14-17,33H,9-10,12-13H2,1-2H3,(H,35,36,37)
• InChIKey: HTAWCXLWGBLEEL-UHFFFAOYSA-N
• XLogP: 32.77
• TPSA: 450.55 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 45
• Rotatable Bonds: 34
• Heavy Atoms: 217
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2985.66
LogP ≤ 5	32.77
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	45

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-(thian-2-yl)anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopentyl-4-methylpyrimidin-5-yl)-2-[4-(4-methylmorpholin-2-yl)anilino]-8-phenylpyrido[2,3-d]pyrimidin-7-one;6-(3,5-dimethyl-1-pyridin-4-ylpyrazol-4-yl)-2-(3-fluoro-4-piperazin-1-ylanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-(5-methyl-2-phenyl-1,3-thiazol-4-yl)-2-[4-[(1-methylpiperidin-3-yl)methyl]anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-[(1-methylpiperidin-4-yl)methyl]anilino]-6-(4-methyl-2-pyridin-2-ylphenyl)-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one?

The IUPAC name of 6-(4-cyclopentyl-2-fluorophenyl)-2-[4-(thian-2-yl)anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopentyl-4-methylpyrimidin-5-yl)-2-[4-(4-methylmorpholin-2-yl)anilino]-8-phenylpyrido[2,3-d]pyrimidin-7-one;6-(3,5-dimethyl-1-pyridin-4-ylpyrazol-4-yl)-2-(3-fluoro-4-piperazin-1-ylanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-(5-methyl-2-phenyl-1,3-thiazol-4-yl)-2-[4-[(1-methylpiperidin-3-yl)methyl]anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-[(1-methylpiperidin-4-yl)methyl]anilino]-6-(4-methyl-2-pyridin-2-ylphenyl)-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one (CID 158579270) is 6-(4-cyclopentyl-2-fluorophenyl)-2-[4-(thian-2-yl)anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopentyl-4-methylpyrimidin-5-yl)-2-[4-(4-methylmorpholin-2-yl)anilino]-8-phenylpyrido[2,3-d]pyrimidin-7-one;6-(3,5-dimethyl-1-pyridin-4-ylpyrazol-4-yl)-2-(3-fluoro-4-piperazin-1-ylanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-(5-methyl-2-phenyl-1,3-thiazol-4-yl)-2-[4-[(1-methylpiperidin-3-yl)methyl]anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-[(1-methylpiperidin-4-yl)methyl]anilino]-6-(4-methyl-2-pyridin-2-ylphenyl)-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one.

What is the SMILES notation for 6-(4-cyclopentyl-2-fluorophenyl)-2-[4-(thian-2-yl)anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopentyl-4-methylpyrimidin-5-yl)-2-[4-(4-methylmorpholin-2-yl)anilino]-8-phenylpyrido[2,3-d]pyrimidin-7-one;6-(3,5-dimethyl-1-pyridin-4-ylpyrazol-4-yl)-2-(3-fluoro-4-piperazin-1-ylanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-(5-methyl-2-phenyl-1,3-thiazol-4-yl)-2-[4-[(1-methylpiperidin-3-yl)methyl]anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-[(1-methylpiperidin-4-yl)methyl]anilino]-6-(4-methyl-2-pyridin-2-ylphenyl)-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one?

The canonical SMILES for 6-(4-cyclopentyl-2-fluorophenyl)-2-[4-(thian-2-yl)anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopentyl-4-methylpyrimidin-5-yl)-2-[4-(4-methylmorpholin-2-yl)anilino]-8-phenylpyrido[2,3-d]pyrimidin-7-one;6-(3,5-dimethyl-1-pyridin-4-ylpyrazol-4-yl)-2-(3-fluoro-4-piperazin-1-ylanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-(5-methyl-2-phenyl-1,3-thiazol-4-yl)-2-[4-[(1-methylpiperidin-3-yl)methyl]anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-[(1-methylpiperidin-4-yl)methyl]anilino]-6-(4-methyl-2-pyridin-2-ylphenyl)-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one is Cc1ccc(-c2cc3cnc(Nc4ccc(CC5CCN(C)CC5)cc4)nc3n(CC3CCOCC3)c2=O)c(-c2ccccn2)c1.Cc1nc(C2CCCC2)ncc1-c1cc2cnc(Nc3ccc(C4CN(C)CCO4)cc3)nc2n(-c2ccccc2)c1=O.Cc1nn(-c2ccncc2)c(C)c1-c1cc2cnc(Nc3ccc(N4CCNCC4)c(F)c3)nc2n(-c2nccs2)c1=O.Cc1sc(-c2ccccc2)nc1-c1cc2cnc(Nc3ccc(CC4CCCN(C)C4)cc3)nc2n(Cc2nccs2)c1=O.O=c1c(-c2ccc(C3CCCC3)cc2F)cc2cnc(Nc3ccc(C4CCCCS4)cc3)nc2n1CC(F)(F)F.

What is the InChIKey of 6-(4-cyclopentyl-2-fluorophenyl)-2-[4-(thian-2-yl)anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopentyl-4-methylpyrimidin-5-yl)-2-[4-(4-methylmorpholin-2-yl)anilino]-8-phenylpyrido[2,3-d]pyrimidin-7-one;6-(3,5-dimethyl-1-pyridin-4-ylpyrazol-4-yl)-2-(3-fluoro-4-piperazin-1-ylanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-(5-methyl-2-phenyl-1,3-thiazol-4-yl)-2-[4-[(1-methylpiperidin-3-yl)methyl]anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-[(1-methylpiperidin-4-yl)methyl]anilino]-6-(4-methyl-2-pyridin-2-ylphenyl)-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one?

The InChIKey is HTAWCXLWGBLEEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H42N6O2.C34H35N7O2.C34H33N7OS2.C31H30F4N4OS.C30H27FN10OS/c1-26-6-11-32(33(21-26)35-5-3-4-16-39-35)34-23-30-24-40-38(42-36(30)44(37(34)45)25-29-14-19-46-20-15-29)41-31-9-7-27(8-10-31)22-28-12-17-43(2)18-13-28;1-22-29(20-35-31(37-22)24-8-6-7-9-24)28-18-25-19-36-34(39-32(25)41(33(28)42)27-10-4-3-5-11-27)38-26-14-12-23(13-15-26)30-21-40(2)16-17-43-30;1-22-30(38-32(44-22)25-8-4-3-5-9-25)28-18-26-19-36-34(39-31(26)41(33(28)42)21-29-35-14-16-43-29)37-27-12-10-23(11-13-27)17-24-7-6-15-40(2)20-24;32-26-16-21(19-5-1-2-6-19)10-13-24(26)25-15-22-17-36-30(38-28(22)39(29(25)40)18-31(33,34)35)37-23-11-8-20(9-12-23)27-7-3-4-14-41-27;1-18-26(19(2)41(38-18)22-5-7-32-8-6-22)23-15-20-17-35-29(37-27(20)40(28(23)42)30-34-11-14-43-30)36-21-3-4-25(24(31)16-21)39-12-9-33-10-13-39/h3-11,16,21,23-24,28-29H,12-15,17-20,22,25H2,1-2H3,(H,40,41,42);3-5,10-15,18-20,24,30H,6-9,16-17,21H2,1-2H3,(H,36,38,39);3-5,8-14,16,18-19,24H,6-7,15,17,20-21H2,1-2H3,(H,36,37,39);8-13,15-17,19,27H,1-7,14,18H2,(H,36,37,38);3-8,11,14-17,33H,9-10,12-13H2,1-2H3,(H,35,36,37).

What are the key properties of 6-(4-cyclopentyl-2-fluorophenyl)-2-[4-(thian-2-yl)anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopentyl-4-methylpyrimidin-5-yl)-2-[4-(4-methylmorpholin-2-yl)anilino]-8-phenylpyrido[2,3-d]pyrimidin-7-one;6-(3,5-dimethyl-1-pyridin-4-ylpyrazol-4-yl)-2-(3-fluoro-4-piperazin-1-ylanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-(5-methyl-2-phenyl-1,3-thiazol-4-yl)-2-[4-[(1-methylpiperidin-3-yl)methyl]anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-[(1-methylpiperidin-4-yl)methyl]anilino]-6-(4-methyl-2-pyridin-2-ylphenyl)-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one?

6-(4-cyclopentyl-2-fluorophenyl)-2-[4-(thian-2-yl)anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopentyl-4-methylpyrimidin-5-yl)-2-[4-(4-methylmorpholin-2-yl)anilino]-8-phenylpyrido[2,3-d]pyrimidin-7-one;6-(3,5-dimethyl-1-pyridin-4-ylpyrazol-4-yl)-2-(3-fluoro-4-piperazin-1-ylanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-(5-methyl-2-phenyl-1,3-thiazol-4-yl)-2-[4-[(1-methylpiperidin-3-yl)methyl]anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-[(1-methylpiperidin-4-yl)methyl]anilino]-6-(4-methyl-2-pyridin-2-ylphenyl)-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 2985.66 g/mol, XLogP of 32.77, 34 rotatable bonds, 6 hydrogen bond donors, and 45 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(4-cyclopentyl-2-fluorophenyl)-2-[4-(thian-2-yl)anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopentyl-4-methylpyrimidin-5-yl)-2-[4-(4-methylmorpholin-2-yl)anilino]-8-phenylpyrido[2,3-d]pyrimidin-7-one;6-(3,5-dimethyl-1-pyridin-4-ylpyrazol-4-yl)-2-(3-fluoro-4-piperazin-1-ylanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-(5-methyl-2-phenyl-1,3-thiazol-4-yl)-2-[4-[(1-methylpiperidin-3-yl)methyl]anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-[(1-methylpiperidin-4-yl)methyl]anilino]-6-(4-methyl-2-pyridin-2-ylphenyl)-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 158579270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).