N-[2-[6-[3-chloro-5-(2-methoxyethylsulfonyl)-2-pyridinyl]-7-oxo-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-8-yl]ethyl]-N-methylmethanesulfonamide;6-[2-chloro-4-(methylidene-oxo-propan-2-yl-λ6-sulfanyl)phenyl]-2-[4-(4-methylmorpholin-2-yl)anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2,6-dichloro-4-(methylidene-oxo-phenyl-λ6-sulfanyl)phenyl]-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-(1-methylsulfinylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;6-[4-[2-(dimethylamino)ethylsulfonyl]-2-(trifluoromethyl)phenyl]-2-(4-piperidin-4-yloxyanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;hydrate

C138H153Cl4F6N25O20S6 — CID 157096322

About N-[2-[6-[3-chloro-5-(2-methoxyethylsulfonyl)-2-pyridinyl]-7-oxo-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-8-yl]ethyl]-N-methylmethanesulfonamide;6-[2-chloro-4-(methylidene-oxo-propan-2-yl-λ6-sulfanyl)phenyl]-2-[4-(4-methylmorpholin-2-yl)anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2,6-dichloro-4-(methylidene-oxo-phenyl-λ6-sulfanyl)phenyl]-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-(1-methylsulfinylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;6-[4-[2-(dimethylamino)ethylsulfonyl]-2-(trifluoromethyl)phenyl]-2-(4-piperidin-4-yloxyanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;hydrate

N-[2-[6-[3-chloro-5-(2-methoxyethylsulfonyl)-2-pyridinyl]-7-oxo-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-8-yl]ethyl]-N-methylmethanesulfonamide;6-[2-chloro-4-(methylidene-oxo-propan-2-yl-λ6-sulfanyl)phenyl]-2-[4-(4-methylmorpholin-2-yl)anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2,6-dichloro-4-(methylidene-oxo-phenyl-λ6-sulfanyl)phenyl]-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-(1-methylsulfinylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;6-[4-[2-(dimethylamino)ethylsulfonyl]-2-(trifluoromethyl)phenyl]-2-(4-piperidin-4-yloxyanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;hydrate (PubChem CID 157096322) has the molecular formula C138H153Cl4F6N25O20S6 and a molecular weight of 2930.10 g/mol. Its IUPAC name is N-[2-[6-[3-chloro-5-(2-methoxyethylsulfonyl)-2-pyridinyl]-7-oxo-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-8-yl]ethyl]-N-methylmethanesulfonamide;6-[2-chloro-4-(methylidene-oxo-propan-2-yl-λ6-sulfanyl)phenyl]-2-[4-(4-methylmorpholin-2-yl)anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2,6-dichloro-4-(methylidene-oxo-phenyl-λ6-sulfanyl)phenyl]-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-(1-methylsulfinylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;6-[4-[2-(dimethylamino)ethylsulfonyl]-2-(trifluoromethyl)phenyl]-2-(4-piperidin-4-yloxyanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;hydrate.

Molecular Properties

• Compound Name: N-[2-[6-[3-chloro-5-(2-methoxyethylsulfonyl)-2-pyridinyl]-7-oxo-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-8-yl]ethyl]-N-methylmethanesulfonamide;6-[2-chloro-4-(methylidene-oxo-propan-2-yl-λ6-sulfanyl)phenyl]-2-[4-(4-methylmorpholin-2-yl)anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2,6-dichloro-4-(methylidene-oxo-phenyl-λ6-sulfanyl)phenyl]-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-(1-methylsulfinylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;6-[4-[2-(dimethylamino)ethylsulfonyl]-2-(trifluoromethyl)phenyl]-2-(4-piperidin-4-yloxyanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;hydrate
• PubChem CID: 157096322
• Molecular Formula: C138H153Cl4F6N25O20S6
• Molecular Weight: 2930.10 g/mol
• Exact Mass: 2925.87
• IUPAC Name: N-[2-[6-[3-chloro-5-(2-methoxyethylsulfonyl)-2-pyridinyl]-7-oxo-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-8-yl]ethyl]-N-methylmethanesulfonamide;6-[2-chloro-4-(methylidene-oxo-propan-2-yl-λ6-sulfanyl)phenyl]-2-[4-(4-methylmorpholin-2-yl)anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2,6-dichloro-4-(methylidene-oxo-phenyl-λ6-sulfanyl)phenyl]-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-(1-methylsulfinylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;6-[4-[2-(dimethylamino)ethylsulfonyl]-2-(trifluoromethyl)phenyl]-2-(4-piperidin-4-yloxyanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;hydrate
• SMILES: C=S(=O)(c1ccc(-c2cc3cnc(Nc4ccc(C5CN(C)CCO5)cc4)nc3n(CCN3CCOCC3)c2=O)c(Cl)c1)C(C)C.C=S(=O)(c1ccccc1)c1cc(Cl)c(-c2cc3cnc(Nc4ccc(OC5CCN(C)C5)cc4)nc3n(C3CCN(S(C)=O)CC3)c2=O)c(Cl)c1.CN(C)CCS(=O)(=O)c1ccc(-c2cc3cnc(Nc4ccc(OC5CCNCC5)cc4)nc3n(Cc3ccccc3C(F)(F)F)c2=O)c(C(F)(F)F)c1.COCCS(=O)(=O)c1cnc(-c2cc3cnc(Nc4ccc(OC5CCCNC5)cc4)nc3n(CCN(C)S(C)(=O)=O)c2=O)c(Cl)c1.O
• InChI: InChI=1S/C37H38Cl2N6O4S2.C37H36F6N6O4S.C34H41ClN6O4S.C30H36ClN7O7S2.H2O/c1-43-16-15-28(23-43)49-27-11-9-25(10-12-27)41-37-40-22-24-19-31(36(46)45(35(24)42-37)26-13-17-44(18-14-26)50(2)47)34-32(38)20-30(21-33(34)39)51(3,48)29-7-5-4-6-8-29;1-48(2)17-18-54(51,52)28-11-12-29(32(20-28)37(41,42)43)30-19-24-21-45-35(46-25-7-9-26(10-8-25)53-27-13-15-44-16-14-27)47-33(24)49(34(30)50)22-23-5-3-4-6-31(23)36(38,39)40;1-23(2)46(4,43)27-9-10-28(30(35)20-27)29-19-25-21-36-34(37-26-7-5-24(6-8-26)31-22-39(3)13-18-45-31)38-32(25)41(33(29)42)12-11-40-14-16-44-17-15-40;1-37(46(3,40)41)11-12-38-28-20(15-25(29(38)39)27-26(31)16-24(19-33-27)47(42,43)14-13-44-2)17-34-30(36-28)35-21-6-8-22(9-7-21)45-23-5-4-10-32-18-23;/h4-12,19-22,26,28H,3,13-18,23H2,1-2H3,(H,40,41,42);3-12,19-21,27,44H,13-18,22H2,1-2H3,(H,45,46,47);5-10,19-21,23,31H,4,11-18,22H2,1-3H3,(H,36,37,38);6-9,15-17,19,23,32H,4-5,10-14,18H2,1-3H3,(H,34,35,36);1H2
• InChIKey: XEJGTWPPTOUORV-UHFFFAOYSA-N
• XLogP: 19.95
• TPSA: 536.14 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 42
• Rotatable Bonds: 42
• Heavy Atoms: 199
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2930.10
LogP ≤ 5	19.95
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	42

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-chloro-5-(2-methoxyethylsulfonyl)-2-pyridinyl]-7-oxo-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-8-yl]ethyl]-N-methylmethanesulfonamide;6-[2-chloro-4-(methylidene-oxo-propan-2-yl-λ6-sulfanyl)phenyl]-2-[4-(4-methylmorpholin-2-yl)anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2,6-dichloro-4-(methylidene-oxo-phenyl-λ6-sulfanyl)phenyl]-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-(1-methylsulfinylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;6-[4-[2-(dimethylamino)ethylsulfonyl]-2-(trifluoromethyl)phenyl]-2-(4-piperidin-4-yloxyanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;hydrate?

The IUPAC name of N-[2-[6-[3-chloro-5-(2-methoxyethylsulfonyl)-2-pyridinyl]-7-oxo-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-8-yl]ethyl]-N-methylmethanesulfonamide;6-[2-chloro-4-(methylidene-oxo-propan-2-yl-λ6-sulfanyl)phenyl]-2-[4-(4-methylmorpholin-2-yl)anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2,6-dichloro-4-(methylidene-oxo-phenyl-λ6-sulfanyl)phenyl]-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-(1-methylsulfinylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;6-[4-[2-(dimethylamino)ethylsulfonyl]-2-(trifluoromethyl)phenyl]-2-(4-piperidin-4-yloxyanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;hydrate (CID 157096322) is N-[2-[6-[3-chloro-5-(2-methoxyethylsulfonyl)-2-pyridinyl]-7-oxo-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-8-yl]ethyl]-N-methylmethanesulfonamide;6-[2-chloro-4-(methylidene-oxo-propan-2-yl-λ6-sulfanyl)phenyl]-2-[4-(4-methylmorpholin-2-yl)anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2,6-dichloro-4-(methylidene-oxo-phenyl-λ6-sulfanyl)phenyl]-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-(1-methylsulfinylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;6-[4-[2-(dimethylamino)ethylsulfonyl]-2-(trifluoromethyl)phenyl]-2-(4-piperidin-4-yloxyanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;hydrate.

What is the SMILES notation for N-[2-[6-[3-chloro-5-(2-methoxyethylsulfonyl)-2-pyridinyl]-7-oxo-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-8-yl]ethyl]-N-methylmethanesulfonamide;6-[2-chloro-4-(methylidene-oxo-propan-2-yl-λ6-sulfanyl)phenyl]-2-[4-(4-methylmorpholin-2-yl)anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2,6-dichloro-4-(methylidene-oxo-phenyl-λ6-sulfanyl)phenyl]-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-(1-methylsulfinylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;6-[4-[2-(dimethylamino)ethylsulfonyl]-2-(trifluoromethyl)phenyl]-2-(4-piperidin-4-yloxyanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;hydrate?

The canonical SMILES for N-[2-[6-[3-chloro-5-(2-methoxyethylsulfonyl)-2-pyridinyl]-7-oxo-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-8-yl]ethyl]-N-methylmethanesulfonamide;6-[2-chloro-4-(methylidene-oxo-propan-2-yl-λ6-sulfanyl)phenyl]-2-[4-(4-methylmorpholin-2-yl)anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2,6-dichloro-4-(methylidene-oxo-phenyl-λ6-sulfanyl)phenyl]-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-(1-methylsulfinylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;6-[4-[2-(dimethylamino)ethylsulfonyl]-2-(trifluoromethyl)phenyl]-2-(4-piperidin-4-yloxyanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;hydrate is C=S(=O)(c1ccc(-c2cc3cnc(Nc4ccc(C5CN(C)CCO5)cc4)nc3n(CCN3CCOCC3)c2=O)c(Cl)c1)C(C)C.C=S(=O)(c1ccccc1)c1cc(Cl)c(-c2cc3cnc(Nc4ccc(OC5CCN(C)C5)cc4)nc3n(C3CCN(S(C)=O)CC3)c2=O)c(Cl)c1.CN(C)CCS(=O)(=O)c1ccc(-c2cc3cnc(Nc4ccc(OC5CCNCC5)cc4)nc3n(Cc3ccccc3C(F)(F)F)c2=O)c(C(F)(F)F)c1.COCCS(=O)(=O)c1cnc(-c2cc3cnc(Nc4ccc(OC5CCCNC5)cc4)nc3n(CCN(C)S(C)(=O)=O)c2=O)c(Cl)c1.O.

What is the InChIKey of N-[2-[6-[3-chloro-5-(2-methoxyethylsulfonyl)-2-pyridinyl]-7-oxo-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-8-yl]ethyl]-N-methylmethanesulfonamide;6-[2-chloro-4-(methylidene-oxo-propan-2-yl-λ6-sulfanyl)phenyl]-2-[4-(4-methylmorpholin-2-yl)anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2,6-dichloro-4-(methylidene-oxo-phenyl-λ6-sulfanyl)phenyl]-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-(1-methylsulfinylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;6-[4-[2-(dimethylamino)ethylsulfonyl]-2-(trifluoromethyl)phenyl]-2-(4-piperidin-4-yloxyanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;hydrate?

The InChIKey is XEJGTWPPTOUORV-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H38Cl2N6O4S2.C37H36F6N6O4S.C34H41ClN6O4S.C30H36ClN7O7S2.H2O/c1-43-16-15-28(23-43)49-27-11-9-25(10-12-27)41-37-40-22-24-19-31(36(46)45(35(24)42-37)26-13-17-44(18-14-26)50(2)47)34-32(38)20-30(21-33(34)39)51(3,48)29-7-5-4-6-8-29;1-48(2)17-18-54(51,52)28-11-12-29(32(20-28)37(41,42)43)30-19-24-21-45-35(46-25-7-9-26(10-8-25)53-27-13-15-44-16-14-27)47-33(24)49(34(30)50)22-23-5-3-4-6-31(23)36(38,39)40;1-23(2)46(4,43)27-9-10-28(30(35)20-27)29-19-25-21-36-34(37-26-7-5-24(6-8-26)31-22-39(3)13-18-45-31)38-32(25)41(33(29)42)12-11-40-14-16-44-17-15-40;1-37(46(3,40)41)11-12-38-28-20(15-25(29(38)39)27-26(31)16-24(19-33-27)47(42,43)14-13-44-2)17-34-30(36-28)35-21-6-8-22(9-7-21)45-23-5-4-10-32-18-23;/h4-12,19-22,26,28H,3,13-18,23H2,1-2H3,(H,40,41,42);3-12,19-21,27,44H,13-18,22H2,1-2H3,(H,45,46,47);5-10,19-21,23,31H,4,11-18,22H2,1-3H3,(H,36,37,38);6-9,15-17,19,23,32H,4-5,10-14,18H2,1-3H3,(H,34,35,36);1H2.

What are the key properties of N-[2-[6-[3-chloro-5-(2-methoxyethylsulfonyl)-2-pyridinyl]-7-oxo-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-8-yl]ethyl]-N-methylmethanesulfonamide;6-[2-chloro-4-(methylidene-oxo-propan-2-yl-λ6-sulfanyl)phenyl]-2-[4-(4-methylmorpholin-2-yl)anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2,6-dichloro-4-(methylidene-oxo-phenyl-λ6-sulfanyl)phenyl]-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-(1-methylsulfinylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;6-[4-[2-(dimethylamino)ethylsulfonyl]-2-(trifluoromethyl)phenyl]-2-(4-piperidin-4-yloxyanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;hydrate?

N-[2-[6-[3-chloro-5-(2-methoxyethylsulfonyl)-2-pyridinyl]-7-oxo-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-8-yl]ethyl]-N-methylmethanesulfonamide;6-[2-chloro-4-(methylidene-oxo-propan-2-yl-λ6-sulfanyl)phenyl]-2-[4-(4-methylmorpholin-2-yl)anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2,6-dichloro-4-(methylidene-oxo-phenyl-λ6-sulfanyl)phenyl]-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-(1-methylsulfinylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;6-[4-[2-(dimethylamino)ethylsulfonyl]-2-(trifluoromethyl)phenyl]-2-(4-piperidin-4-yloxyanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;hydrate has a molecular weight of 2930.10 g/mol, XLogP of 19.95, 42 rotatable bonds, 6 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[6-[3-chloro-5-(2-methoxyethylsulfonyl)-2-pyridinyl]-7-oxo-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-8-yl]ethyl]-N-methylmethanesulfonamide;6-[2-chloro-4-(methylidene-oxo-propan-2-yl-λ6-sulfanyl)phenyl]-2-[4-(4-methylmorpholin-2-yl)anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2,6-dichloro-4-(methylidene-oxo-phenyl-λ6-sulfanyl)phenyl]-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-(1-methylsulfinylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;6-[4-[2-(dimethylamino)ethylsulfonyl]-2-(trifluoromethyl)phenyl]-2-(4-piperidin-4-yloxyanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;hydrate is sourced from PubChem (CID 157096322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).