6-[3-(benzenesulfonyl)-2-methylphenyl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[3-methyl-5-[methylidene-oxo-(1,3-thiazol-5-yl)-λ6-sulfanyl]-2-pyridinyl]-2-[4-(1-methylpiperidin-4-yl)oxyanilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-4-[methylidene-oxo-(2,2,2-trifluoroethyl)-λ6-sulfanyl]phenyl]-2-[4-(1-methylpiperidin-3-yl)oxyanilino]-8-(1-methylsulfonylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;N-methyl-N-[2-[6-[2-methyl-5-[methylidene(phenyl)-λ4-sulfanyl]phenyl]-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide;molecular hydrogen

C143H162F6N26O14S7 — CID 159229871

About 6-[3-(benzenesulfonyl)-2-methylphenyl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[3-methyl-5-[methylidene-oxo-(1,3-thiazol-5-yl)-λ6-sulfanyl]-2-pyridinyl]-2-[4-(1-methylpiperidin-4-yl)oxyanilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-4-[methylidene-oxo-(2,2,2-trifluoroethyl)-λ6-sulfanyl]phenyl]-2-[4-(1-methylpiperidin-3-yl)oxyanilino]-8-(1-methylsulfonylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;N-methyl-N-[2-[6-[2-methyl-5-[methylidene(phenyl)-λ4-sulfanyl]phenyl]-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide;molecular hydrogen

6-[3-(benzenesulfonyl)-2-methylphenyl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[3-methyl-5-[methylidene-oxo-(1,3-thiazol-5-yl)-λ6-sulfanyl]-2-pyridinyl]-2-[4-(1-methylpiperidin-4-yl)oxyanilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-4-[methylidene-oxo-(2,2,2-trifluoroethyl)-λ6-sulfanyl]phenyl]-2-[4-(1-methylpiperidin-3-yl)oxyanilino]-8-(1-methylsulfonylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;N-methyl-N-[2-[6-[2-methyl-5-[methylidene(phenyl)-λ4-sulfanyl]phenyl]-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide;molecular hydrogen (PubChem CID 159229871) has the molecular formula C143H162F6N26O14S7 and a molecular weight of 2807.49 g/mol. Its IUPAC name is 6-[3-(benzenesulfonyl)-2-methylphenyl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[3-methyl-5-[methylidene-oxo-(1,3-thiazol-5-yl)-λ6-sulfanyl]-2-pyridinyl]-2-[4-(1-methylpiperidin-4-yl)oxyanilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-4-[methylidene-oxo-(2,2,2-trifluoroethyl)-λ6-sulfanyl]phenyl]-2-[4-(1-methylpiperidin-3-yl)oxyanilino]-8-(1-methylsulfonylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;N-methyl-N-[2-[6-[2-methyl-5-[methylidene(phenyl)-λ4-sulfanyl]phenyl]-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide;molecular hydrogen.

Molecular Properties

• Compound Name: 6-[3-(benzenesulfonyl)-2-methylphenyl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[3-methyl-5-[methylidene-oxo-(1,3-thiazol-5-yl)-λ6-sulfanyl]-2-pyridinyl]-2-[4-(1-methylpiperidin-4-yl)oxyanilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-4-[methylidene-oxo-(2,2,2-trifluoroethyl)-λ6-sulfanyl]phenyl]-2-[4-(1-methylpiperidin-3-yl)oxyanilino]-8-(1-methylsulfonylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;N-methyl-N-[2-[6-[2-methyl-5-[methylidene(phenyl)-λ4-sulfanyl]phenyl]-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide;molecular hydrogen
• PubChem CID: 159229871
• Molecular Formula: C143H162F6N26O14S7
• Molecular Weight: 2807.49 g/mol
• Exact Mass: 2805.07
• IUPAC Name: 6-[3-(benzenesulfonyl)-2-methylphenyl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[3-methyl-5-[methylidene-oxo-(1,3-thiazol-5-yl)-λ6-sulfanyl]-2-pyridinyl]-2-[4-(1-methylpiperidin-4-yl)oxyanilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-4-[methylidene-oxo-(2,2,2-trifluoroethyl)-λ6-sulfanyl]phenyl]-2-[4-(1-methylpiperidin-3-yl)oxyanilino]-8-(1-methylsulfonylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;N-methyl-N-[2-[6-[2-methyl-5-[methylidene(phenyl)-λ4-sulfanyl]phenyl]-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide;molecular hydrogen
• SMILES: C=S(=O)(CC(F)(F)F)c1ccc(-c2cc3cnc(Nc4ccc(OC5CCCN(C)C5)cc4)nc3n(C3CCN(S(C)(=O)=O)CC3)c2=O)c(C)c1.C=S(=O)(c1cnc(-c2cc3cnc(Nc4ccc(OC5CCN(C)CC5)cc4)nc3n(CC)c2=O)c(C)c1)c1cncs1.C=S(c1ccccc1)c1ccc(C)c(-c2cc3cnc(Nc4ccc(NC5CCN(C)CC5)cc4)nc3n(CCN(C)S(C)(=O)=O)c2=O)c1.Cc1c(-c2cc3cnc(Nc4ccc(N(C)C5CCCNC5)cc4)nc3n(Cc3ccccc3C(F)(F)F)c2=O)cccc1S(=O)(=O)c1ccccc1.[H][H].[H][H].[H][H].[H][H]
• InChI: InChI=1S/C40H37F3N6O3S.C37H43N7O3S2.C35H41F3N6O5S2.C31H33N7O3S2.4H2/c1-26-33(14-8-16-36(26)53(51,52)32-12-4-3-5-13-32)34-22-28-23-45-39(46-29-17-19-30(20-18-29)48(2)31-11-9-21-44-24-31)47-37(28)49(38(34)50)25-27-10-6-7-15-35(27)40(41,42)43;1-26-11-16-32(48(4)31-9-7-6-8-10-31)24-33(26)34-23-27-25-38-37(41-35(27)44(36(34)45)22-21-43(3)49(5,46)47)40-29-14-12-28(13-15-29)39-30-17-19-42(2)20-18-30;1-23-18-29(50(3,46)22-35(36,37)38)11-12-30(23)31-19-24-20-39-34(40-25-7-9-27(10-8-25)49-28-6-5-15-42(2)21-28)41-32(24)44(33(31)45)26-13-16-43(17-14-26)51(4,47)48;1-5-38-29-21(15-26(30(38)39)28-20(2)14-25(17-33-28)43(4,40)27-18-32-19-42-27)16-34-31(36-29)35-22-6-8-23(9-7-22)41-24-10-12-37(3)13-11-24;;;;/h3-8,10,12-20,22-23,31,44H,9,11,21,24-25H2,1-2H3,(H,45,46,47);6-16,23-25,30,39H,4,17-22H2,1-3,5H3,(H,38,40,41);7-12,18-20,26,28H,3,5-6,13-17,21-22H2,1-2,4H3,(H,39,40,41);6-9,14-19,24H,4-5,10-13H2,1-3H3,(H,34,35,36);4*1H
• InChIKey: KSTKOTSCPRRDCV-UHFFFAOYSA-N
• XLogP: 24.82
• TPSA: 463.54 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 39
• Rotatable Bonds: 37
• Heavy Atoms: 196
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2807.49
LogP ≤ 5	24.82
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	39

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[3-(benzenesulfonyl)-2-methylphenyl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[3-methyl-5-[methylidene-oxo-(1,3-thiazol-5-yl)-λ6-sulfanyl]-2-pyridinyl]-2-[4-(1-methylpiperidin-4-yl)oxyanilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-4-[methylidene-oxo-(2,2,2-trifluoroethyl)-λ6-sulfanyl]phenyl]-2-[4-(1-methylpiperidin-3-yl)oxyanilino]-8-(1-methylsulfonylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;N-methyl-N-[2-[6-[2-methyl-5-[methylidene(phenyl)-λ4-sulfanyl]phenyl]-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide;molecular hydrogen?

The IUPAC name of 6-[3-(benzenesulfonyl)-2-methylphenyl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[3-methyl-5-[methylidene-oxo-(1,3-thiazol-5-yl)-λ6-sulfanyl]-2-pyridinyl]-2-[4-(1-methylpiperidin-4-yl)oxyanilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-4-[methylidene-oxo-(2,2,2-trifluoroethyl)-λ6-sulfanyl]phenyl]-2-[4-(1-methylpiperidin-3-yl)oxyanilino]-8-(1-methylsulfonylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;N-methyl-N-[2-[6-[2-methyl-5-[methylidene(phenyl)-λ4-sulfanyl]phenyl]-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide;molecular hydrogen (CID 159229871) is 6-[3-(benzenesulfonyl)-2-methylphenyl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[3-methyl-5-[methylidene-oxo-(1,3-thiazol-5-yl)-λ6-sulfanyl]-2-pyridinyl]-2-[4-(1-methylpiperidin-4-yl)oxyanilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-4-[methylidene-oxo-(2,2,2-trifluoroethyl)-λ6-sulfanyl]phenyl]-2-[4-(1-methylpiperidin-3-yl)oxyanilino]-8-(1-methylsulfonylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;N-methyl-N-[2-[6-[2-methyl-5-[methylidene(phenyl)-λ4-sulfanyl]phenyl]-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide;molecular hydrogen.

What is the SMILES notation for 6-[3-(benzenesulfonyl)-2-methylphenyl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[3-methyl-5-[methylidene-oxo-(1,3-thiazol-5-yl)-λ6-sulfanyl]-2-pyridinyl]-2-[4-(1-methylpiperidin-4-yl)oxyanilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-4-[methylidene-oxo-(2,2,2-trifluoroethyl)-λ6-sulfanyl]phenyl]-2-[4-(1-methylpiperidin-3-yl)oxyanilino]-8-(1-methylsulfonylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;N-methyl-N-[2-[6-[2-methyl-5-[methylidene(phenyl)-λ4-sulfanyl]phenyl]-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide;molecular hydrogen?

The canonical SMILES for 6-[3-(benzenesulfonyl)-2-methylphenyl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[3-methyl-5-[methylidene-oxo-(1,3-thiazol-5-yl)-λ6-sulfanyl]-2-pyridinyl]-2-[4-(1-methylpiperidin-4-yl)oxyanilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-4-[methylidene-oxo-(2,2,2-trifluoroethyl)-λ6-sulfanyl]phenyl]-2-[4-(1-methylpiperidin-3-yl)oxyanilino]-8-(1-methylsulfonylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;N-methyl-N-[2-[6-[2-methyl-5-[methylidene(phenyl)-λ4-sulfanyl]phenyl]-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide;molecular hydrogen is C=S(=O)(CC(F)(F)F)c1ccc(-c2cc3cnc(Nc4ccc(OC5CCCN(C)C5)cc4)nc3n(C3CCN(S(C)(=O)=O)CC3)c2=O)c(C)c1.C=S(=O)(c1cnc(-c2cc3cnc(Nc4ccc(OC5CCN(C)CC5)cc4)nc3n(CC)c2=O)c(C)c1)c1cncs1.C=S(c1ccccc1)c1ccc(C)c(-c2cc3cnc(Nc4ccc(NC5CCN(C)CC5)cc4)nc3n(CCN(C)S(C)(=O)=O)c2=O)c1.Cc1c(-c2cc3cnc(Nc4ccc(N(C)C5CCCNC5)cc4)nc3n(Cc3ccccc3C(F)(F)F)c2=O)cccc1S(=O)(=O)c1ccccc1.[H][H].[H][H].[H][H].[H][H].

What is the InChIKey of 6-[3-(benzenesulfonyl)-2-methylphenyl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[3-methyl-5-[methylidene-oxo-(1,3-thiazol-5-yl)-λ6-sulfanyl]-2-pyridinyl]-2-[4-(1-methylpiperidin-4-yl)oxyanilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-4-[methylidene-oxo-(2,2,2-trifluoroethyl)-λ6-sulfanyl]phenyl]-2-[4-(1-methylpiperidin-3-yl)oxyanilino]-8-(1-methylsulfonylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;N-methyl-N-[2-[6-[2-methyl-5-[methylidene(phenyl)-λ4-sulfanyl]phenyl]-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide;molecular hydrogen?

The InChIKey is KSTKOTSCPRRDCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H37F3N6O3S.C37H43N7O3S2.C35H41F3N6O5S2.C31H33N7O3S2.4H2/c1-26-33(14-8-16-36(26)53(51,52)32-12-4-3-5-13-32)34-22-28-23-45-39(46-29-17-19-30(20-18-29)48(2)31-11-9-21-44-24-31)47-37(28)49(38(34)50)25-27-10-6-7-15-35(27)40(41,42)43;1-26-11-16-32(48(4)31-9-7-6-8-10-31)24-33(26)34-23-27-25-38-37(41-35(27)44(36(34)45)22-21-43(3)49(5,46)47)40-29-14-12-28(13-15-29)39-30-17-19-42(2)20-18-30;1-23-18-29(50(3,46)22-35(36,37)38)11-12-30(23)31-19-24-20-39-34(40-25-7-9-27(10-8-25)49-28-6-5-15-42(2)21-28)41-32(24)44(33(31)45)26-13-16-43(17-14-26)51(4,47)48;1-5-38-29-21(15-26(30(38)39)28-20(2)14-25(17-33-28)43(4,40)27-18-32-19-42-27)16-34-31(36-29)35-22-6-8-23(9-7-22)41-24-10-12-37(3)13-11-24;;;;/h3-8,10,12-20,22-23,31,44H,9,11,21,24-25H2,1-2H3,(H,45,46,47);6-16,23-25,30,39H,4,17-22H2,1-3,5H3,(H,38,40,41);7-12,18-20,26,28H,3,5-6,13-17,21-22H2,1-2,4H3,(H,39,40,41);6-9,14-19,24H,4-5,10-13H2,1-3H3,(H,34,35,36);4*1H.

What are the key properties of 6-[3-(benzenesulfonyl)-2-methylphenyl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[3-methyl-5-[methylidene-oxo-(1,3-thiazol-5-yl)-λ6-sulfanyl]-2-pyridinyl]-2-[4-(1-methylpiperidin-4-yl)oxyanilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-4-[methylidene-oxo-(2,2,2-trifluoroethyl)-λ6-sulfanyl]phenyl]-2-[4-(1-methylpiperidin-3-yl)oxyanilino]-8-(1-methylsulfonylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;N-methyl-N-[2-[6-[2-methyl-5-[methylidene(phenyl)-λ4-sulfanyl]phenyl]-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide;molecular hydrogen?

6-[3-(benzenesulfonyl)-2-methylphenyl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[3-methyl-5-[methylidene-oxo-(1,3-thiazol-5-yl)-λ6-sulfanyl]-2-pyridinyl]-2-[4-(1-methylpiperidin-4-yl)oxyanilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-4-[methylidene-oxo-(2,2,2-trifluoroethyl)-λ6-sulfanyl]phenyl]-2-[4-(1-methylpiperidin-3-yl)oxyanilino]-8-(1-methylsulfonylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;N-methyl-N-[2-[6-[2-methyl-5-[methylidene(phenyl)-λ4-sulfanyl]phenyl]-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide;molecular hydrogen has a molecular weight of 2807.49 g/mol, XLogP of 24.82, 37 rotatable bonds, 6 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[3-(benzenesulfonyl)-2-methylphenyl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[3-methyl-5-[methylidene-oxo-(1,3-thiazol-5-yl)-λ6-sulfanyl]-2-pyridinyl]-2-[4-(1-methylpiperidin-4-yl)oxyanilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-4-[methylidene-oxo-(2,2,2-trifluoroethyl)-λ6-sulfanyl]phenyl]-2-[4-(1-methylpiperidin-3-yl)oxyanilino]-8-(1-methylsulfonylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;N-methyl-N-[2-[6-[2-methyl-5-[methylidene(phenyl)-λ4-sulfanyl]phenyl]-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide;molecular hydrogen is sourced from PubChem (CID 159229871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).