6-(2-chloro-4-methylphenyl)-2-[4-(1-methylpiperidin-4-yl)oxyanilino]-8-[[3-(1,3-thiazol-2-ylsulfonyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-(1-methylimidazol-2-yl)-2-(4-piperidin-3-yloxyanilino)-8-[[1-(2,2,2-trifluoroethylsulfonyl)pyrrol-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-(2-methylphenyl)-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-[(2-methylsulfonylfuran-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;8-[(3-propan-2-ylsulfonylimidazol-4-yl)methyl]-6-(pyridin-3-ylamino)-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one

C125H124ClF3N28O16S6 — CID 161326178

About 6-(2-chloro-4-methylphenyl)-2-[4-(1-methylpiperidin-4-yl)oxyanilino]-8-[[3-(1,3-thiazol-2-ylsulfonyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-(1-methylimidazol-2-yl)-2-(4-piperidin-3-yloxyanilino)-8-[[1-(2,2,2-trifluoroethylsulfonyl)pyrrol-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-(2-methylphenyl)-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-[(2-methylsulfonylfuran-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;8-[(3-propan-2-ylsulfonylimidazol-4-yl)methyl]-6-(pyridin-3-ylamino)-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one

6-(2-chloro-4-methylphenyl)-2-[4-(1-methylpiperidin-4-yl)oxyanilino]-8-[[3-(1,3-thiazol-2-ylsulfonyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-(1-methylimidazol-2-yl)-2-(4-piperidin-3-yloxyanilino)-8-[[1-(2,2,2-trifluoroethylsulfonyl)pyrrol-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-(2-methylphenyl)-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-[(2-methylsulfonylfuran-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;8-[(3-propan-2-ylsulfonylimidazol-4-yl)methyl]-6-(pyridin-3-ylamino)-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 161326178) has the molecular formula C125H124ClF3N28O16S6 and a molecular weight of 2559.40 g/mol. Its IUPAC name is 6-(2-chloro-4-methylphenyl)-2-[4-(1-methylpiperidin-4-yl)oxyanilino]-8-[[3-(1,3-thiazol-2-ylsulfonyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-(1-methylimidazol-2-yl)-2-(4-piperidin-3-yloxyanilino)-8-[[1-(2,2,2-trifluoroethylsulfonyl)pyrrol-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-(2-methylphenyl)-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-[(2-methylsulfonylfuran-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;8-[(3-propan-2-ylsulfonylimidazol-4-yl)methyl]-6-(pyridin-3-ylamino)-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 6-(2-chloro-4-methylphenyl)-2-[4-(1-methylpiperidin-4-yl)oxyanilino]-8-[[3-(1,3-thiazol-2-ylsulfonyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-(1-methylimidazol-2-yl)-2-(4-piperidin-3-yloxyanilino)-8-[[1-(2,2,2-trifluoroethylsulfonyl)pyrrol-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-(2-methylphenyl)-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-[(2-methylsulfonylfuran-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;8-[(3-propan-2-ylsulfonylimidazol-4-yl)methyl]-6-(pyridin-3-ylamino)-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 161326178
• Molecular Formula: C125H124ClF3N28O16S6
• Molecular Weight: 2559.40 g/mol
• Exact Mass: 2556.77
• IUPAC Name: 6-(2-chloro-4-methylphenyl)-2-[4-(1-methylpiperidin-4-yl)oxyanilino]-8-[[3-(1,3-thiazol-2-ylsulfonyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-(1-methylimidazol-2-yl)-2-(4-piperidin-3-yloxyanilino)-8-[[1-(2,2,2-trifluoroethylsulfonyl)pyrrol-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-(2-methylphenyl)-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-[(2-methylsulfonylfuran-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;8-[(3-propan-2-ylsulfonylimidazol-4-yl)methyl]-6-(pyridin-3-ylamino)-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one
• SMILES: CC(C)S(=O)(=O)n1cncc1Cn1c(=O)c(Nc2cccnc2)cc2cnc(Nc3ccc(C4CNCCS4)cc3)nc21.Cc1ccc(-c2cc3cnc(Nc4ccc(OC5CCN(C)CC5)cc4)nc3n(Cc3cccc(S(=O)(=O)c4nccs4)c3)c2=O)c(Cl)c1.Cc1ccccc1-c1cc2cnc(Nc3ccc(OC4CCN(C)C4)cc3)nc2n(Cc2ccoc2S(C)(=O)=O)c1=O.Cn1ccnc1-c1cc2cnc(Nc3ccc(OC4CCCNC4)cc3)nc2n(Cc2cccn2S(=O)(=O)CC(F)(F)F)c1=O
• InChI: InChI=1S/C36H33ClN6O4S2.C31H31N5O5S.C29H29F3N8O4S.C29H31N9O3S2/c1-23-6-11-30(32(37)18-23)31-20-25-21-39-35(40-26-7-9-27(10-8-26)47-28-12-15-42(2)16-13-28)41-33(25)43(34(31)44)22-24-4-3-5-29(19-24)49(45,46)36-38-14-17-48-36;1-20-6-4-5-7-26(20)27-16-22-17-32-31(33-23-8-10-24(11-9-23)41-25-12-14-35(2)19-25)34-28(22)36(29(27)37)18-21-13-15-40-30(21)42(3,38)39;1-38-13-11-34-26(38)24-14-19-15-35-28(36-20-6-8-22(9-7-20)44-23-5-2-10-33-16-23)37-25(19)39(27(24)41)17-21-4-3-12-40(21)45(42,43)18-29(30,31)32;1-19(2)43(40,41)38-18-32-15-24(38)17-37-27-21(12-25(28(37)39)34-23-4-3-9-30-14-23)13-33-29(36-27)35-22-7-5-20(6-8-22)26-16-31-10-11-42-26/h3-11,14,17-21,28H,12-13,15-16,22H2,1-2H3,(H,39,40,41);4-11,13,15-17,25H,12,14,18-19H2,1-3H3,(H,32,33,34);3-4,6-9,11-15,23,33H,2,5,10,16-18H2,1H3,(H,35,36,37);3-9,12-15,18-19,26,31,34H,10-11,16-17H2,1-2H3,(H,33,35,36)
• InChIKey: VKUJQUUKIOWLBW-UHFFFAOYSA-N
• XLogP: 19.15
• TPSA: 525.55 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 46
• Rotatable Bonds: 35
• Heavy Atoms: 179
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2559.40
LogP ≤ 5	19.15
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	46

Frequently Asked Questions

What is the IUPAC name of 6-(2-chloro-4-methylphenyl)-2-[4-(1-methylpiperidin-4-yl)oxyanilino]-8-[[3-(1,3-thiazol-2-ylsulfonyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-(1-methylimidazol-2-yl)-2-(4-piperidin-3-yloxyanilino)-8-[[1-(2,2,2-trifluoroethylsulfonyl)pyrrol-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-(2-methylphenyl)-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-[(2-methylsulfonylfuran-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;8-[(3-propan-2-ylsulfonylimidazol-4-yl)methyl]-6-(pyridin-3-ylamino)-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one?

The IUPAC name of 6-(2-chloro-4-methylphenyl)-2-[4-(1-methylpiperidin-4-yl)oxyanilino]-8-[[3-(1,3-thiazol-2-ylsulfonyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-(1-methylimidazol-2-yl)-2-(4-piperidin-3-yloxyanilino)-8-[[1-(2,2,2-trifluoroethylsulfonyl)pyrrol-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-(2-methylphenyl)-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-[(2-methylsulfonylfuran-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;8-[(3-propan-2-ylsulfonylimidazol-4-yl)methyl]-6-(pyridin-3-ylamino)-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one (CID 161326178) is 6-(2-chloro-4-methylphenyl)-2-[4-(1-methylpiperidin-4-yl)oxyanilino]-8-[[3-(1,3-thiazol-2-ylsulfonyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-(1-methylimidazol-2-yl)-2-(4-piperidin-3-yloxyanilino)-8-[[1-(2,2,2-trifluoroethylsulfonyl)pyrrol-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-(2-methylphenyl)-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-[(2-methylsulfonylfuran-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;8-[(3-propan-2-ylsulfonylimidazol-4-yl)methyl]-6-(pyridin-3-ylamino)-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one.

What is the SMILES notation for 6-(2-chloro-4-methylphenyl)-2-[4-(1-methylpiperidin-4-yl)oxyanilino]-8-[[3-(1,3-thiazol-2-ylsulfonyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-(1-methylimidazol-2-yl)-2-(4-piperidin-3-yloxyanilino)-8-[[1-(2,2,2-trifluoroethylsulfonyl)pyrrol-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-(2-methylphenyl)-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-[(2-methylsulfonylfuran-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;8-[(3-propan-2-ylsulfonylimidazol-4-yl)methyl]-6-(pyridin-3-ylamino)-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one?

The canonical SMILES for 6-(2-chloro-4-methylphenyl)-2-[4-(1-methylpiperidin-4-yl)oxyanilino]-8-[[3-(1,3-thiazol-2-ylsulfonyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-(1-methylimidazol-2-yl)-2-(4-piperidin-3-yloxyanilino)-8-[[1-(2,2,2-trifluoroethylsulfonyl)pyrrol-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-(2-methylphenyl)-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-[(2-methylsulfonylfuran-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;8-[(3-propan-2-ylsulfonylimidazol-4-yl)methyl]-6-(pyridin-3-ylamino)-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one is CC(C)S(=O)(=O)n1cncc1Cn1c(=O)c(Nc2cccnc2)cc2cnc(Nc3ccc(C4CNCCS4)cc3)nc21.Cc1ccc(-c2cc3cnc(Nc4ccc(OC5CCN(C)CC5)cc4)nc3n(Cc3cccc(S(=O)(=O)c4nccs4)c3)c2=O)c(Cl)c1.Cc1ccccc1-c1cc2cnc(Nc3ccc(OC4CCN(C)C4)cc3)nc2n(Cc2ccoc2S(C)(=O)=O)c1=O.Cn1ccnc1-c1cc2cnc(Nc3ccc(OC4CCCNC4)cc3)nc2n(Cc2cccn2S(=O)(=O)CC(F)(F)F)c1=O.

What is the InChIKey of 6-(2-chloro-4-methylphenyl)-2-[4-(1-methylpiperidin-4-yl)oxyanilino]-8-[[3-(1,3-thiazol-2-ylsulfonyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-(1-methylimidazol-2-yl)-2-(4-piperidin-3-yloxyanilino)-8-[[1-(2,2,2-trifluoroethylsulfonyl)pyrrol-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-(2-methylphenyl)-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-[(2-methylsulfonylfuran-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;8-[(3-propan-2-ylsulfonylimidazol-4-yl)methyl]-6-(pyridin-3-ylamino)-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one?

The InChIKey is VKUJQUUKIOWLBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H33ClN6O4S2.C31H31N5O5S.C29H29F3N8O4S.C29H31N9O3S2/c1-23-6-11-30(32(37)18-23)31-20-25-21-39-35(40-26-7-9-27(10-8-26)47-28-12-15-42(2)16-13-28)41-33(25)43(34(31)44)22-24-4-3-5-29(19-24)49(45,46)36-38-14-17-48-36;1-20-6-4-5-7-26(20)27-16-22-17-32-31(33-23-8-10-24(11-9-23)41-25-12-14-35(2)19-25)34-28(22)36(29(27)37)18-21-13-15-40-30(21)42(3,38)39;1-38-13-11-34-26(38)24-14-19-15-35-28(36-20-6-8-22(9-7-20)44-23-5-2-10-33-16-23)37-25(19)39(27(24)41)17-21-4-3-12-40(21)45(42,43)18-29(30,31)32;1-19(2)43(40,41)38-18-32-15-24(38)17-37-27-21(12-25(28(37)39)34-23-4-3-9-30-14-23)13-33-29(36-27)35-22-7-5-20(6-8-22)26-16-31-10-11-42-26/h3-11,14,17-21,28H,12-13,15-16,22H2,1-2H3,(H,39,40,41);4-11,13,15-17,25H,12,14,18-19H2,1-3H3,(H,32,33,34);3-4,6-9,11-15,23,33H,2,5,10,16-18H2,1H3,(H,35,36,37);3-9,12-15,18-19,26,31,34H,10-11,16-17H2,1-2H3,(H,33,35,36).

What are the key properties of 6-(2-chloro-4-methylphenyl)-2-[4-(1-methylpiperidin-4-yl)oxyanilino]-8-[[3-(1,3-thiazol-2-ylsulfonyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-(1-methylimidazol-2-yl)-2-(4-piperidin-3-yloxyanilino)-8-[[1-(2,2,2-trifluoroethylsulfonyl)pyrrol-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-(2-methylphenyl)-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-[(2-methylsulfonylfuran-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;8-[(3-propan-2-ylsulfonylimidazol-4-yl)methyl]-6-(pyridin-3-ylamino)-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one?

6-(2-chloro-4-methylphenyl)-2-[4-(1-methylpiperidin-4-yl)oxyanilino]-8-[[3-(1,3-thiazol-2-ylsulfonyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-(1-methylimidazol-2-yl)-2-(4-piperidin-3-yloxyanilino)-8-[[1-(2,2,2-trifluoroethylsulfonyl)pyrrol-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-(2-methylphenyl)-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-[(2-methylsulfonylfuran-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;8-[(3-propan-2-ylsulfonylimidazol-4-yl)methyl]-6-(pyridin-3-ylamino)-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 2559.40 g/mol, XLogP of 19.15, 35 rotatable bonds, 7 hydrogen bond donors, and 46 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(2-chloro-4-methylphenyl)-2-[4-(1-methylpiperidin-4-yl)oxyanilino]-8-[[3-(1,3-thiazol-2-ylsulfonyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-(1-methylimidazol-2-yl)-2-(4-piperidin-3-yloxyanilino)-8-[[1-(2,2,2-trifluoroethylsulfonyl)pyrrol-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-(2-methylphenyl)-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-[(2-methylsulfonylfuran-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;8-[(3-propan-2-ylsulfonylimidazol-4-yl)methyl]-6-(pyridin-3-ylamino)-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 161326178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).