N-[2-[6-(3-cyclohexylsulfonylphenyl)-7-oxo-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-8-yl]ethyl]-N-methylmethanesulfonamide;6-[4-[methyl(methylidene)-λ4-sulfanyl]phenyl]-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-(1-methylsulfonylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-methylpiperidin-4-yl)sulfonylphenyl]-2-(4-piperidin-4-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-(2-morpholin-4-ylethyl)-2-(4-pyrrolidin-3-ylanilino)-6-[1-(1,3-thiazol-5-ylsulfonyl)imidazol-2-yl]pyrido[2,3-d]pyrimidin-7-one

C133H148F3N27O15S7 — CID 158436739

About N-[2-[6-(3-cyclohexylsulfonylphenyl)-7-oxo-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-8-yl]ethyl]-N-methylmethanesulfonamide;6-[4-[methyl(methylidene)-λ4-sulfanyl]phenyl]-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-(1-methylsulfonylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-methylpiperidin-4-yl)sulfonylphenyl]-2-(4-piperidin-4-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-(2-morpholin-4-ylethyl)-2-(4-pyrrolidin-3-ylanilino)-6-[1-(1,3-thiazol-5-ylsulfonyl)imidazol-2-yl]pyrido[2,3-d]pyrimidin-7-one

N-[2-[6-(3-cyclohexylsulfonylphenyl)-7-oxo-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-8-yl]ethyl]-N-methylmethanesulfonamide;6-[4-[methyl(methylidene)-λ4-sulfanyl]phenyl]-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-(1-methylsulfonylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-methylpiperidin-4-yl)sulfonylphenyl]-2-(4-piperidin-4-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-(2-morpholin-4-ylethyl)-2-(4-pyrrolidin-3-ylanilino)-6-[1-(1,3-thiazol-5-ylsulfonyl)imidazol-2-yl]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 158436739) has the molecular formula C133H148F3N27O15S7 and a molecular weight of 2646.28 g/mol. Its IUPAC name is N-[2-[6-(3-cyclohexylsulfonylphenyl)-7-oxo-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-8-yl]ethyl]-N-methylmethanesulfonamide;6-[4-[methyl(methylidene)-λ4-sulfanyl]phenyl]-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-(1-methylsulfonylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-methylpiperidin-4-yl)sulfonylphenyl]-2-(4-piperidin-4-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-(2-morpholin-4-ylethyl)-2-(4-pyrrolidin-3-ylanilino)-6-[1-(1,3-thiazol-5-ylsulfonyl)imidazol-2-yl]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: N-[2-[6-(3-cyclohexylsulfonylphenyl)-7-oxo-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-8-yl]ethyl]-N-methylmethanesulfonamide;6-[4-[methyl(methylidene)-λ4-sulfanyl]phenyl]-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-(1-methylsulfonylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-methylpiperidin-4-yl)sulfonylphenyl]-2-(4-piperidin-4-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-(2-morpholin-4-ylethyl)-2-(4-pyrrolidin-3-ylanilino)-6-[1-(1,3-thiazol-5-ylsulfonyl)imidazol-2-yl]pyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 158436739
• Molecular Formula: C133H148F3N27O15S7
• Molecular Weight: 2646.28 g/mol
• Exact Mass: 2643.96
• IUPAC Name: N-[2-[6-(3-cyclohexylsulfonylphenyl)-7-oxo-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-8-yl]ethyl]-N-methylmethanesulfonamide;6-[4-[methyl(methylidene)-λ4-sulfanyl]phenyl]-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-(1-methylsulfonylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-methylpiperidin-4-yl)sulfonylphenyl]-2-(4-piperidin-4-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-(2-morpholin-4-ylethyl)-2-(4-pyrrolidin-3-ylanilino)-6-[1-(1,3-thiazol-5-ylsulfonyl)imidazol-2-yl]pyrido[2,3-d]pyrimidin-7-one
• SMILES: C=S(C)c1ccc(-c2cc3cnc(Nc4ccc(C5CCN(C)C5)cc4)nc3n(C3CCN(S(C)(=O)=O)CC3)c2=O)cc1.CN(CCn1c(=O)c(-c2cccc(S(=O)(=O)C3CCCCC3)c2)cc2cnc(Nc3ccc(C4=CCNCC4)cc3)nc21)S(C)(=O)=O.CN1CCC(S(=O)(=O)c2ccccc2-c2cc3cnc(Nc4ccc(C5CCNCC5)cc4)nc3n(Cc3ccccc3C(F)(F)F)c2=O)CC1.O=c1c(-c2nccn2S(=O)(=O)c2cncs2)cc2cnc(Nc3ccc(C4CCNC4)cc3)nc2n1CCN1CCOCC1
• InChI: InChI=1S/C38H39F3N6O3S.C34H40N6O5S2.C32H38N6O3S2.C29H31N9O4S2/c1-46-20-16-30(17-21-46)51(49,50)34-9-5-3-7-31(34)32-22-28-23-43-37(44-29-12-10-25(11-13-29)26-14-18-42-19-15-26)45-35(28)47(36(32)48)24-27-6-2-4-8-33(27)38(39,40)41;1-39(46(2,42)43)19-20-40-32-27(23-36-34(38-32)37-28-13-11-24(12-14-28)25-15-17-35-18-16-25)22-31(33(40)41)26-7-6-10-30(21-26)47(44,45)29-8-4-3-5-9-29;1-36-16-13-24(21-36)22-5-9-26(10-6-22)34-32-33-20-25-19-29(23-7-11-28(12-8-23)42(2)3)31(39)38(30(25)35-32)27-14-17-37(18-15-27)43(4,40)41;39-28-24(27-32-7-8-38(27)44(40,41)25-18-31-19-43-25)15-22-17-33-29(34-23-3-1-20(2-4-23)21-5-6-30-16-21)35-26(22)37(28)10-9-36-11-13-42-14-12-36/h2-13,22-23,26,30,42H,14-21,24H2,1H3,(H,43,44,45);6-7,10-15,21-23,29,35H,3-5,8-9,16-20H2,1-2H3,(H,36,37,38);5-12,19-20,24,27H,2,13-18,21H2,1,3-4H3,(H,33,34,35);1-4,7-8,15,17-19,21,30H,5-6,9-14,16H2,(H,33,34,35)
• InChIKey: HCHYBZBIJIKPKX-UHFFFAOYSA-N
• XLogP: 18.59
• TPSA: 502.17 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 41
• Rotatable Bonds: 34
• Heavy Atoms: 185
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2646.28
LogP ≤ 5	18.59
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	41

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-[6-(3-cyclohexylsulfonylphenyl)-7-oxo-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-8-yl]ethyl]-N-methylmethanesulfonamide;6-[4-[methyl(methylidene)-λ4-sulfanyl]phenyl]-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-(1-methylsulfonylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-methylpiperidin-4-yl)sulfonylphenyl]-2-(4-piperidin-4-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-(2-morpholin-4-ylethyl)-2-(4-pyrrolidin-3-ylanilino)-6-[1-(1,3-thiazol-5-ylsulfonyl)imidazol-2-yl]pyrido[2,3-d]pyrimidin-7-one?

The IUPAC name of N-[2-[6-(3-cyclohexylsulfonylphenyl)-7-oxo-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-8-yl]ethyl]-N-methylmethanesulfonamide;6-[4-[methyl(methylidene)-λ4-sulfanyl]phenyl]-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-(1-methylsulfonylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-methylpiperidin-4-yl)sulfonylphenyl]-2-(4-piperidin-4-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-(2-morpholin-4-ylethyl)-2-(4-pyrrolidin-3-ylanilino)-6-[1-(1,3-thiazol-5-ylsulfonyl)imidazol-2-yl]pyrido[2,3-d]pyrimidin-7-one (CID 158436739) is N-[2-[6-(3-cyclohexylsulfonylphenyl)-7-oxo-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-8-yl]ethyl]-N-methylmethanesulfonamide;6-[4-[methyl(methylidene)-λ4-sulfanyl]phenyl]-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-(1-methylsulfonylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-methylpiperidin-4-yl)sulfonylphenyl]-2-(4-piperidin-4-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-(2-morpholin-4-ylethyl)-2-(4-pyrrolidin-3-ylanilino)-6-[1-(1,3-thiazol-5-ylsulfonyl)imidazol-2-yl]pyrido[2,3-d]pyrimidin-7-one.

What is the SMILES notation for N-[2-[6-(3-cyclohexylsulfonylphenyl)-7-oxo-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-8-yl]ethyl]-N-methylmethanesulfonamide;6-[4-[methyl(methylidene)-λ4-sulfanyl]phenyl]-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-(1-methylsulfonylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-methylpiperidin-4-yl)sulfonylphenyl]-2-(4-piperidin-4-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-(2-morpholin-4-ylethyl)-2-(4-pyrrolidin-3-ylanilino)-6-[1-(1,3-thiazol-5-ylsulfonyl)imidazol-2-yl]pyrido[2,3-d]pyrimidin-7-one?

The canonical SMILES for N-[2-[6-(3-cyclohexylsulfonylphenyl)-7-oxo-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-8-yl]ethyl]-N-methylmethanesulfonamide;6-[4-[methyl(methylidene)-λ4-sulfanyl]phenyl]-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-(1-methylsulfonylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-methylpiperidin-4-yl)sulfonylphenyl]-2-(4-piperidin-4-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-(2-morpholin-4-ylethyl)-2-(4-pyrrolidin-3-ylanilino)-6-[1-(1,3-thiazol-5-ylsulfonyl)imidazol-2-yl]pyrido[2,3-d]pyrimidin-7-one is C=S(C)c1ccc(-c2cc3cnc(Nc4ccc(C5CCN(C)C5)cc4)nc3n(C3CCN(S(C)(=O)=O)CC3)c2=O)cc1.CN(CCn1c(=O)c(-c2cccc(S(=O)(=O)C3CCCCC3)c2)cc2cnc(Nc3ccc(C4=CCNCC4)cc3)nc21)S(C)(=O)=O.CN1CCC(S(=O)(=O)c2ccccc2-c2cc3cnc(Nc4ccc(C5CCNCC5)cc4)nc3n(Cc3ccccc3C(F)(F)F)c2=O)CC1.O=c1c(-c2nccn2S(=O)(=O)c2cncs2)cc2cnc(Nc3ccc(C4CCNC4)cc3)nc2n1CCN1CCOCC1.

What is the InChIKey of N-[2-[6-(3-cyclohexylsulfonylphenyl)-7-oxo-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-8-yl]ethyl]-N-methylmethanesulfonamide;6-[4-[methyl(methylidene)-λ4-sulfanyl]phenyl]-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-(1-methylsulfonylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-methylpiperidin-4-yl)sulfonylphenyl]-2-(4-piperidin-4-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-(2-morpholin-4-ylethyl)-2-(4-pyrrolidin-3-ylanilino)-6-[1-(1,3-thiazol-5-ylsulfonyl)imidazol-2-yl]pyrido[2,3-d]pyrimidin-7-one?

The InChIKey is HCHYBZBIJIKPKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H39F3N6O3S.C34H40N6O5S2.C32H38N6O3S2.C29H31N9O4S2/c1-46-20-16-30(17-21-46)51(49,50)34-9-5-3-7-31(34)32-22-28-23-43-37(44-29-12-10-25(11-13-29)26-14-18-42-19-15-26)45-35(28)47(36(32)48)24-27-6-2-4-8-33(27)38(39,40)41;1-39(46(2,42)43)19-20-40-32-27(23-36-34(38-32)37-28-13-11-24(12-14-28)25-15-17-35-18-16-25)22-31(33(40)41)26-7-6-10-30(21-26)47(44,45)29-8-4-3-5-9-29;1-36-16-13-24(21-36)22-5-9-26(10-6-22)34-32-33-20-25-19-29(23-7-11-28(12-8-23)42(2)3)31(39)38(30(25)35-32)27-14-17-37(18-15-27)43(4,40)41;39-28-24(27-32-7-8-38(27)44(40,41)25-18-31-19-43-25)15-22-17-33-29(34-23-3-1-20(2-4-23)21-5-6-30-16-21)35-26(22)37(28)10-9-36-11-13-42-14-12-36/h2-13,22-23,26,30,42H,14-21,24H2,1H3,(H,43,44,45);6-7,10-15,21-23,29,35H,3-5,8-9,16-20H2,1-2H3,(H,36,37,38);5-12,19-20,24,27H,2,13-18,21H2,1,3-4H3,(H,33,34,35);1-4,7-8,15,17-19,21,30H,5-6,9-14,16H2,(H,33,34,35).

What are the key properties of N-[2-[6-(3-cyclohexylsulfonylphenyl)-7-oxo-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-8-yl]ethyl]-N-methylmethanesulfonamide;6-[4-[methyl(methylidene)-λ4-sulfanyl]phenyl]-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-(1-methylsulfonylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-methylpiperidin-4-yl)sulfonylphenyl]-2-(4-piperidin-4-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-(2-morpholin-4-ylethyl)-2-(4-pyrrolidin-3-ylanilino)-6-[1-(1,3-thiazol-5-ylsulfonyl)imidazol-2-yl]pyrido[2,3-d]pyrimidin-7-one?

N-[2-[6-(3-cyclohexylsulfonylphenyl)-7-oxo-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-8-yl]ethyl]-N-methylmethanesulfonamide;6-[4-[methyl(methylidene)-λ4-sulfanyl]phenyl]-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-(1-methylsulfonylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-methylpiperidin-4-yl)sulfonylphenyl]-2-(4-piperidin-4-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-(2-morpholin-4-ylethyl)-2-(4-pyrrolidin-3-ylanilino)-6-[1-(1,3-thiazol-5-ylsulfonyl)imidazol-2-yl]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 2646.28 g/mol, XLogP of 18.59, 34 rotatable bonds, 7 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[6-(3-cyclohexylsulfonylphenyl)-7-oxo-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-8-yl]ethyl]-N-methylmethanesulfonamide;6-[4-[methyl(methylidene)-λ4-sulfanyl]phenyl]-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-(1-methylsulfonylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-methylpiperidin-4-yl)sulfonylphenyl]-2-(4-piperidin-4-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-(2-morpholin-4-ylethyl)-2-(4-pyrrolidin-3-ylanilino)-6-[1-(1,3-thiazol-5-ylsulfonyl)imidazol-2-yl]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 158436739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).