6-[1-(benzenesulfonyl)imidazol-2-yl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;N-[2-[6-[3-(benzenesulfonyl)phenyl]-2-[4-(1-methylpiperidin-3-yl)oxyanilino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]-N-methylmethanesulfonamide;6-[2,6-dichloro-4-[2-(dimethylamino)ethylsulfinyl]phenyl]-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-[2-(2,2,2-trifluoroethylsulfonyl)phenyl]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one

C139H150Cl2F6N28O17S5 — CID 161124942

About 6-[1-(benzenesulfonyl)imidazol-2-yl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;N-[2-[6-[3-(benzenesulfonyl)phenyl]-2-[4-(1-methylpiperidin-3-yl)oxyanilino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]-N-methylmethanesulfonamide;6-[2,6-dichloro-4-[2-(dimethylamino)ethylsulfinyl]phenyl]-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-[2-(2,2,2-trifluoroethylsulfonyl)phenyl]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one

6-[1-(benzenesulfonyl)imidazol-2-yl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;N-[2-[6-[3-(benzenesulfonyl)phenyl]-2-[4-(1-methylpiperidin-3-yl)oxyanilino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]-N-methylmethanesulfonamide;6-[2,6-dichloro-4-[2-(dimethylamino)ethylsulfinyl]phenyl]-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-[2-(2,2,2-trifluoroethylsulfonyl)phenyl]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 161124942) has the molecular formula C139H150Cl2F6N28O17S5 and a molecular weight of 2830.14 g/mol. Its IUPAC name is 6-[1-(benzenesulfonyl)imidazol-2-yl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;N-[2-[6-[3-(benzenesulfonyl)phenyl]-2-[4-(1-methylpiperidin-3-yl)oxyanilino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]-N-methylmethanesulfonamide;6-[2,6-dichloro-4-[2-(dimethylamino)ethylsulfinyl]phenyl]-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-[2-(2,2,2-trifluoroethylsulfonyl)phenyl]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 6-[1-(benzenesulfonyl)imidazol-2-yl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;N-[2-[6-[3-(benzenesulfonyl)phenyl]-2-[4-(1-methylpiperidin-3-yl)oxyanilino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]-N-methylmethanesulfonamide;6-[2,6-dichloro-4-[2-(dimethylamino)ethylsulfinyl]phenyl]-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-[2-(2,2,2-trifluoroethylsulfonyl)phenyl]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 161124942
• Molecular Formula: C139H150Cl2F6N28O17S5
• Molecular Weight: 2830.14 g/mol
• Exact Mass: 2826.96
• IUPAC Name: 6-[1-(benzenesulfonyl)imidazol-2-yl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;N-[2-[6-[3-(benzenesulfonyl)phenyl]-2-[4-(1-methylpiperidin-3-yl)oxyanilino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]-N-methylmethanesulfonamide;6-[2,6-dichloro-4-[2-(dimethylamino)ethylsulfinyl]phenyl]-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-[2-(2,2,2-trifluoroethylsulfonyl)phenyl]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one
• SMILES: CN(C)CCS(=O)c1cc(Cl)c(-c2cc3cnc(Nc4ccc(NC5CCN(C)CC5)cc4)nc3n(CC(=O)N3CCCC3)c2=O)c(Cl)c1.CN(c1ccc(Nc2ncc3cc(-c4nccn4S(=O)(=O)c4ccccc4)c(=O)n(CCN4CCOCC4)c3n2)cc1)C1CCCNC1.CN1CCC(Oc2ccc(Nc3ncc4cc(-c5ccccc5S(=O)(=O)CC(F)(F)F)c(=O)n(Cc5ccccc5C(F)(F)F)c4n3)cc2)CC1.CN1CCCC(Oc2ccc(Nc3ncc4cc(-c5cccc(S(=O)(=O)c6ccccc6)c5)c(=O)n(CCN(C)S(C)(=O)=O)c4n3)cc2)C1
• InChI: InChI=1S/C35H42Cl2N8O3S.C35H31F6N5O4S.C35H38N6O6S2.C34H39N9O4S/c1-42(2)16-17-49(48)27-19-29(36)32(30(37)20-27)28-18-23-21-38-35(41-33(23)45(34(28)47)22-31(46)44-12-4-5-13-44)40-25-8-6-24(7-9-25)39-26-10-14-43(3)15-11-26;1-45-16-14-26(15-17-45)50-25-12-10-24(11-13-25)43-33-42-19-23-18-28(27-7-3-5-9-30(27)51(48,49)21-34(36,37)38)32(47)46(31(23)44-33)20-22-6-2-4-8-29(22)35(39,40)41;1-39-18-8-10-29(24-39)47-28-16-14-27(15-17-28)37-35-36-23-26-22-32(34(42)41(33(26)38-35)20-19-40(2)48(3,43)44)25-9-7-13-31(21-25)49(45,46)30-11-5-4-6-12-30;1-40(28-6-5-13-35-24-28)27-11-9-26(10-12-27)38-34-37-23-25-22-30(32-36-14-15-43(32)48(45,46)29-7-3-2-4-8-29)33(44)42(31(25)39-34)17-16-41-18-20-47-21-19-41/h6-9,18-21,26,39H,4-5,10-17,22H2,1-3H3,(H,38,40,41);2-13,18-19,26H,14-17,20-21H2,1H3,(H,42,43,44);4-7,9,11-17,21-23,29H,8,10,18-20,24H2,1-3H3,(H,36,37,38);2-4,7-12,14-15,22-23,28,35H,5-6,13,16-21,24H2,1H3,(H,37,38,39)
• InChIKey: ULLAUZFRTQGFFH-UHFFFAOYSA-N
• XLogP: 19.94
• TPSA: 505.43 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 43
• Rotatable Bonds: 41
• Heavy Atoms: 197
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2830.14
LogP ≤ 5	19.94
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	43

Frequently Asked Questions

What is the IUPAC name of 6-[1-(benzenesulfonyl)imidazol-2-yl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;N-[2-[6-[3-(benzenesulfonyl)phenyl]-2-[4-(1-methylpiperidin-3-yl)oxyanilino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]-N-methylmethanesulfonamide;6-[2,6-dichloro-4-[2-(dimethylamino)ethylsulfinyl]phenyl]-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-[2-(2,2,2-trifluoroethylsulfonyl)phenyl]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one?

The IUPAC name of 6-[1-(benzenesulfonyl)imidazol-2-yl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;N-[2-[6-[3-(benzenesulfonyl)phenyl]-2-[4-(1-methylpiperidin-3-yl)oxyanilino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]-N-methylmethanesulfonamide;6-[2,6-dichloro-4-[2-(dimethylamino)ethylsulfinyl]phenyl]-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-[2-(2,2,2-trifluoroethylsulfonyl)phenyl]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one (CID 161124942) is 6-[1-(benzenesulfonyl)imidazol-2-yl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;N-[2-[6-[3-(benzenesulfonyl)phenyl]-2-[4-(1-methylpiperidin-3-yl)oxyanilino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]-N-methylmethanesulfonamide;6-[2,6-dichloro-4-[2-(dimethylamino)ethylsulfinyl]phenyl]-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-[2-(2,2,2-trifluoroethylsulfonyl)phenyl]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one.

What is the SMILES notation for 6-[1-(benzenesulfonyl)imidazol-2-yl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;N-[2-[6-[3-(benzenesulfonyl)phenyl]-2-[4-(1-methylpiperidin-3-yl)oxyanilino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]-N-methylmethanesulfonamide;6-[2,6-dichloro-4-[2-(dimethylamino)ethylsulfinyl]phenyl]-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-[2-(2,2,2-trifluoroethylsulfonyl)phenyl]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one?

The canonical SMILES for 6-[1-(benzenesulfonyl)imidazol-2-yl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;N-[2-[6-[3-(benzenesulfonyl)phenyl]-2-[4-(1-methylpiperidin-3-yl)oxyanilino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]-N-methylmethanesulfonamide;6-[2,6-dichloro-4-[2-(dimethylamino)ethylsulfinyl]phenyl]-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-[2-(2,2,2-trifluoroethylsulfonyl)phenyl]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one is CN(C)CCS(=O)c1cc(Cl)c(-c2cc3cnc(Nc4ccc(NC5CCN(C)CC5)cc4)nc3n(CC(=O)N3CCCC3)c2=O)c(Cl)c1.CN(c1ccc(Nc2ncc3cc(-c4nccn4S(=O)(=O)c4ccccc4)c(=O)n(CCN4CCOCC4)c3n2)cc1)C1CCCNC1.CN1CCC(Oc2ccc(Nc3ncc4cc(-c5ccccc5S(=O)(=O)CC(F)(F)F)c(=O)n(Cc5ccccc5C(F)(F)F)c4n3)cc2)CC1.CN1CCCC(Oc2ccc(Nc3ncc4cc(-c5cccc(S(=O)(=O)c6ccccc6)c5)c(=O)n(CCN(C)S(C)(=O)=O)c4n3)cc2)C1.

What is the InChIKey of 6-[1-(benzenesulfonyl)imidazol-2-yl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;N-[2-[6-[3-(benzenesulfonyl)phenyl]-2-[4-(1-methylpiperidin-3-yl)oxyanilino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]-N-methylmethanesulfonamide;6-[2,6-dichloro-4-[2-(dimethylamino)ethylsulfinyl]phenyl]-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-[2-(2,2,2-trifluoroethylsulfonyl)phenyl]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one?

The InChIKey is ULLAUZFRTQGFFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H42Cl2N8O3S.C35H31F6N5O4S.C35H38N6O6S2.C34H39N9O4S/c1-42(2)16-17-49(48)27-19-29(36)32(30(37)20-27)28-18-23-21-38-35(41-33(23)45(34(28)47)22-31(46)44-12-4-5-13-44)40-25-8-6-24(7-9-25)39-26-10-14-43(3)15-11-26;1-45-16-14-26(15-17-45)50-25-12-10-24(11-13-25)43-33-42-19-23-18-28(27-7-3-5-9-30(27)51(48,49)21-34(36,37)38)32(47)46(31(23)44-33)20-22-6-2-4-8-29(22)35(39,40)41;1-39-18-8-10-29(24-39)47-28-16-14-27(15-17-28)37-35-36-23-26-22-32(34(42)41(33(26)38-35)20-19-40(2)48(3,43)44)25-9-7-13-31(21-25)49(45,46)30-11-5-4-6-12-30;1-40(28-6-5-13-35-24-28)27-11-9-26(10-12-27)38-34-37-23-25-22-30(32-36-14-15-43(32)48(45,46)29-7-3-2-4-8-29)33(44)42(31(25)39-34)17-16-41-18-20-47-21-19-41/h6-9,18-21,26,39H,4-5,10-17,22H2,1-3H3,(H,38,40,41);2-13,18-19,26H,14-17,20-21H2,1H3,(H,42,43,44);4-7,9,11-17,21-23,29H,8,10,18-20,24H2,1-3H3,(H,36,37,38);2-4,7-12,14-15,22-23,28,35H,5-6,13,16-21,24H2,1H3,(H,37,38,39).

What are the key properties of 6-[1-(benzenesulfonyl)imidazol-2-yl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;N-[2-[6-[3-(benzenesulfonyl)phenyl]-2-[4-(1-methylpiperidin-3-yl)oxyanilino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]-N-methylmethanesulfonamide;6-[2,6-dichloro-4-[2-(dimethylamino)ethylsulfinyl]phenyl]-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-[2-(2,2,2-trifluoroethylsulfonyl)phenyl]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one?

6-[1-(benzenesulfonyl)imidazol-2-yl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;N-[2-[6-[3-(benzenesulfonyl)phenyl]-2-[4-(1-methylpiperidin-3-yl)oxyanilino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]-N-methylmethanesulfonamide;6-[2,6-dichloro-4-[2-(dimethylamino)ethylsulfinyl]phenyl]-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-[2-(2,2,2-trifluoroethylsulfonyl)phenyl]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 2830.14 g/mol, XLogP of 19.94, 41 rotatable bonds, 6 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[1-(benzenesulfonyl)imidazol-2-yl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;N-[2-[6-[3-(benzenesulfonyl)phenyl]-2-[4-(1-methylpiperidin-3-yl)oxyanilino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]-N-methylmethanesulfonamide;6-[2,6-dichloro-4-[2-(dimethylamino)ethylsulfinyl]phenyl]-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-[2-(2,2,2-trifluoroethylsulfonyl)phenyl]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 161124942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).