6-[2-chloro-4-(hydroxy-methyl-phenyl-λ4-sulfanyl)phenyl]-2-[4-(1-methylpiperidin-3-yl)oxyanilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;N-[2-[6-[3-chloro-5-(hydroxy-methyl-pyridin-4-yl-λ4-sulfanyl)-2-pyridinyl]-2-[4-(1-methylpiperidin-4-yl)oxyanilino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]-N-methylmethanesulfonamide;6-[4-(2,2-difluoropropylsulfonyl)-2-(trifluoromethyl)phenyl]-2-[4-(4-methylthiomorpholin-2-yl)anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[2-[2-(dimethylamino)ethylsulfonyl]-4-methylphenyl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one

C144H159Cl2F8N27O16S6 — CID 157136603

About 6-[2-chloro-4-(hydroxy-methyl-phenyl-λ4-sulfanyl)phenyl]-2-[4-(1-methylpiperidin-3-yl)oxyanilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;N-[2-[6-[3-chloro-5-(hydroxy-methyl-pyridin-4-yl-λ4-sulfanyl)-2-pyridinyl]-2-[4-(1-methylpiperidin-4-yl)oxyanilino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]-N-methylmethanesulfonamide;6-[4-(2,2-difluoropropylsulfonyl)-2-(trifluoromethyl)phenyl]-2-[4-(4-methylthiomorpholin-2-yl)anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[2-[2-(dimethylamino)ethylsulfonyl]-4-methylphenyl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one

6-[2-chloro-4-(hydroxy-methyl-phenyl-λ4-sulfanyl)phenyl]-2-[4-(1-methylpiperidin-3-yl)oxyanilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;N-[2-[6-[3-chloro-5-(hydroxy-methyl-pyridin-4-yl-λ4-sulfanyl)-2-pyridinyl]-2-[4-(1-methylpiperidin-4-yl)oxyanilino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]-N-methylmethanesulfonamide;6-[4-(2,2-difluoropropylsulfonyl)-2-(trifluoromethyl)phenyl]-2-[4-(4-methylthiomorpholin-2-yl)anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[2-[2-(dimethylamino)ethylsulfonyl]-4-methylphenyl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 157136603) has the molecular formula C144H159Cl2F8N27O16S6 and a molecular weight of 2939.32 g/mol. Its IUPAC name is 6-[2-chloro-4-(hydroxy-methyl-phenyl-λ4-sulfanyl)phenyl]-2-[4-(1-methylpiperidin-3-yl)oxyanilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;N-[2-[6-[3-chloro-5-(hydroxy-methyl-pyridin-4-yl-λ4-sulfanyl)-2-pyridinyl]-2-[4-(1-methylpiperidin-4-yl)oxyanilino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]-N-methylmethanesulfonamide;6-[4-(2,2-difluoropropylsulfonyl)-2-(trifluoromethyl)phenyl]-2-[4-(4-methylthiomorpholin-2-yl)anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[2-[2-(dimethylamino)ethylsulfonyl]-4-methylphenyl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 6-[2-chloro-4-(hydroxy-methyl-phenyl-λ4-sulfanyl)phenyl]-2-[4-(1-methylpiperidin-3-yl)oxyanilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;N-[2-[6-[3-chloro-5-(hydroxy-methyl-pyridin-4-yl-λ4-sulfanyl)-2-pyridinyl]-2-[4-(1-methylpiperidin-4-yl)oxyanilino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]-N-methylmethanesulfonamide;6-[4-(2,2-difluoropropylsulfonyl)-2-(trifluoromethyl)phenyl]-2-[4-(4-methylthiomorpholin-2-yl)anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[2-[2-(dimethylamino)ethylsulfonyl]-4-methylphenyl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 157136603
• Molecular Formula: C144H159Cl2F8N27O16S6
• Molecular Weight: 2939.32 g/mol
• Exact Mass: 2936.00
• IUPAC Name: 6-[2-chloro-4-(hydroxy-methyl-phenyl-λ4-sulfanyl)phenyl]-2-[4-(1-methylpiperidin-3-yl)oxyanilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;N-[2-[6-[3-chloro-5-(hydroxy-methyl-pyridin-4-yl-λ4-sulfanyl)-2-pyridinyl]-2-[4-(1-methylpiperidin-4-yl)oxyanilino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]-N-methylmethanesulfonamide;6-[4-(2,2-difluoropropylsulfonyl)-2-(trifluoromethyl)phenyl]-2-[4-(4-methylthiomorpholin-2-yl)anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[2-[2-(dimethylamino)ethylsulfonyl]-4-methylphenyl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one
• SMILES: CN1CCC(Oc2ccc(Nc3ncc4cc(-c5ncc(S(C)(O)c6ccncc6)cc5Cl)c(=O)n(CCN(C)S(C)(=O)=O)c4n3)cc2)CC1.CN1CCCC(Oc2ccc(Nc3ncc4cc(-c5ccc(S(C)(O)c6ccccc6)cc5Cl)c(=O)n(CCN5CCOCC5)c4n3)cc2)C1.CN1CCSC(c2ccc(Nc3ncc4cc(-c5ccc(S(=O)(=O)CC(C)(F)F)cc5C(F)(F)F)c(=O)n(Cc5ccccc5C(F)(F)F)c4n3)cc2)C1.Cc1ccc(-c2cc3cnc(Nc4ccc(N(C)C5CCCNC5)cc4)nc3n(CC(=O)N3CCCC3)c2=O)c(S(=O)(=O)CCN(C)C)c1
• InChI: InChI=1S/C38H43ClN6O4S.C36H31F8N5O3S2.C36H46N8O4S.C34H39ClN8O5S2/c1-43-16-6-7-30(26-43)49-29-12-10-28(11-13-29)41-38-40-25-27-23-34(37(46)45(36(27)42-38)18-17-44-19-21-48-22-20-44)33-15-14-32(24-35(33)39)50(2,47)31-8-4-3-5-9-31;1-34(37,38)20-54(51,52)25-11-12-26(29(16-25)36(42,43)44)27-15-23-17-45-33(46-24-9-7-21(8-10-24)30-19-48(2)13-14-53-30)47-31(23)49(32(27)50)18-22-5-3-4-6-28(22)35(39,40)41;1-25-9-14-30(32(20-25)49(47,48)19-18-41(2)3)31-21-26-22-38-36(40-34(26)44(35(31)46)24-33(45)43-16-5-6-17-43)39-27-10-12-28(13-11-27)42(4)29-8-7-15-37-23-29;1-41-15-11-26(12-16-41)48-25-7-5-24(6-8-25)39-34-38-21-23-19-29(33(44)43(32(23)40-34)18-17-42(2)50(4,46)47)31-30(35)20-28(22-37-31)49(3,45)27-9-13-36-14-10-27/h3-5,8-15,23-25,30,47H,6-7,16-22,26H2,1-2H3,(H,40,41,42);3-12,15-17,30H,13-14,18-20H2,1-2H3,(H,45,46,47);9-14,20-22,29,37H,5-8,15-19,23-24H2,1-4H3,(H,38,39,40);5-10,13-14,19-22,26,45H,11-12,15-18H2,1-4H3,(H,38,39,40)
• InChIKey: AJRULOMZDCIVHQ-UHFFFAOYSA-N
• XLogP: 24.41
• TPSA: 490.61 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 42
• Rotatable Bonds: 41
• Heavy Atoms: 203
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2939.32
LogP ≤ 5	24.41
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	42

Frequently Asked Questions

What is the IUPAC name of 6-[2-chloro-4-(hydroxy-methyl-phenyl-λ4-sulfanyl)phenyl]-2-[4-(1-methylpiperidin-3-yl)oxyanilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;N-[2-[6-[3-chloro-5-(hydroxy-methyl-pyridin-4-yl-λ4-sulfanyl)-2-pyridinyl]-2-[4-(1-methylpiperidin-4-yl)oxyanilino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]-N-methylmethanesulfonamide;6-[4-(2,2-difluoropropylsulfonyl)-2-(trifluoromethyl)phenyl]-2-[4-(4-methylthiomorpholin-2-yl)anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[2-[2-(dimethylamino)ethylsulfonyl]-4-methylphenyl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one?

The IUPAC name of 6-[2-chloro-4-(hydroxy-methyl-phenyl-λ4-sulfanyl)phenyl]-2-[4-(1-methylpiperidin-3-yl)oxyanilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;N-[2-[6-[3-chloro-5-(hydroxy-methyl-pyridin-4-yl-λ4-sulfanyl)-2-pyridinyl]-2-[4-(1-methylpiperidin-4-yl)oxyanilino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]-N-methylmethanesulfonamide;6-[4-(2,2-difluoropropylsulfonyl)-2-(trifluoromethyl)phenyl]-2-[4-(4-methylthiomorpholin-2-yl)anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[2-[2-(dimethylamino)ethylsulfonyl]-4-methylphenyl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one (CID 157136603) is 6-[2-chloro-4-(hydroxy-methyl-phenyl-λ4-sulfanyl)phenyl]-2-[4-(1-methylpiperidin-3-yl)oxyanilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;N-[2-[6-[3-chloro-5-(hydroxy-methyl-pyridin-4-yl-λ4-sulfanyl)-2-pyridinyl]-2-[4-(1-methylpiperidin-4-yl)oxyanilino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]-N-methylmethanesulfonamide;6-[4-(2,2-difluoropropylsulfonyl)-2-(trifluoromethyl)phenyl]-2-[4-(4-methylthiomorpholin-2-yl)anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[2-[2-(dimethylamino)ethylsulfonyl]-4-methylphenyl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one.

What is the SMILES notation for 6-[2-chloro-4-(hydroxy-methyl-phenyl-λ4-sulfanyl)phenyl]-2-[4-(1-methylpiperidin-3-yl)oxyanilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;N-[2-[6-[3-chloro-5-(hydroxy-methyl-pyridin-4-yl-λ4-sulfanyl)-2-pyridinyl]-2-[4-(1-methylpiperidin-4-yl)oxyanilino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]-N-methylmethanesulfonamide;6-[4-(2,2-difluoropropylsulfonyl)-2-(trifluoromethyl)phenyl]-2-[4-(4-methylthiomorpholin-2-yl)anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[2-[2-(dimethylamino)ethylsulfonyl]-4-methylphenyl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one?

The canonical SMILES for 6-[2-chloro-4-(hydroxy-methyl-phenyl-λ4-sulfanyl)phenyl]-2-[4-(1-methylpiperidin-3-yl)oxyanilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;N-[2-[6-[3-chloro-5-(hydroxy-methyl-pyridin-4-yl-λ4-sulfanyl)-2-pyridinyl]-2-[4-(1-methylpiperidin-4-yl)oxyanilino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]-N-methylmethanesulfonamide;6-[4-(2,2-difluoropropylsulfonyl)-2-(trifluoromethyl)phenyl]-2-[4-(4-methylthiomorpholin-2-yl)anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[2-[2-(dimethylamino)ethylsulfonyl]-4-methylphenyl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one is CN1CCC(Oc2ccc(Nc3ncc4cc(-c5ncc(S(C)(O)c6ccncc6)cc5Cl)c(=O)n(CCN(C)S(C)(=O)=O)c4n3)cc2)CC1.CN1CCCC(Oc2ccc(Nc3ncc4cc(-c5ccc(S(C)(O)c6ccccc6)cc5Cl)c(=O)n(CCN5CCOCC5)c4n3)cc2)C1.CN1CCSC(c2ccc(Nc3ncc4cc(-c5ccc(S(=O)(=O)CC(C)(F)F)cc5C(F)(F)F)c(=O)n(Cc5ccccc5C(F)(F)F)c4n3)cc2)C1.Cc1ccc(-c2cc3cnc(Nc4ccc(N(C)C5CCCNC5)cc4)nc3n(CC(=O)N3CCCC3)c2=O)c(S(=O)(=O)CCN(C)C)c1.

What is the InChIKey of 6-[2-chloro-4-(hydroxy-methyl-phenyl-λ4-sulfanyl)phenyl]-2-[4-(1-methylpiperidin-3-yl)oxyanilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;N-[2-[6-[3-chloro-5-(hydroxy-methyl-pyridin-4-yl-λ4-sulfanyl)-2-pyridinyl]-2-[4-(1-methylpiperidin-4-yl)oxyanilino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]-N-methylmethanesulfonamide;6-[4-(2,2-difluoropropylsulfonyl)-2-(trifluoromethyl)phenyl]-2-[4-(4-methylthiomorpholin-2-yl)anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[2-[2-(dimethylamino)ethylsulfonyl]-4-methylphenyl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one?

The InChIKey is AJRULOMZDCIVHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H43ClN6O4S.C36H31F8N5O3S2.C36H46N8O4S.C34H39ClN8O5S2/c1-43-16-6-7-30(26-43)49-29-12-10-28(11-13-29)41-38-40-25-27-23-34(37(46)45(36(27)42-38)18-17-44-19-21-48-22-20-44)33-15-14-32(24-35(33)39)50(2,47)31-8-4-3-5-9-31;1-34(37,38)20-54(51,52)25-11-12-26(29(16-25)36(42,43)44)27-15-23-17-45-33(46-24-9-7-21(8-10-24)30-19-48(2)13-14-53-30)47-31(23)49(32(27)50)18-22-5-3-4-6-28(22)35(39,40)41;1-25-9-14-30(32(20-25)49(47,48)19-18-41(2)3)31-21-26-22-38-36(40-34(26)44(35(31)46)24-33(45)43-16-5-6-17-43)39-27-10-12-28(13-11-27)42(4)29-8-7-15-37-23-29;1-41-15-11-26(12-16-41)48-25-7-5-24(6-8-25)39-34-38-21-23-19-29(33(44)43(32(23)40-34)18-17-42(2)50(4,46)47)31-30(35)20-28(22-37-31)49(3,45)27-9-13-36-14-10-27/h3-5,8-15,23-25,30,47H,6-7,16-22,26H2,1-2H3,(H,40,41,42);3-12,15-17,30H,13-14,18-20H2,1-2H3,(H,45,46,47);9-14,20-22,29,37H,5-8,15-19,23-24H2,1-4H3,(H,38,39,40);5-10,13-14,19-22,26,45H,11-12,15-18H2,1-4H3,(H,38,39,40).

What are the key properties of 6-[2-chloro-4-(hydroxy-methyl-phenyl-λ4-sulfanyl)phenyl]-2-[4-(1-methylpiperidin-3-yl)oxyanilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;N-[2-[6-[3-chloro-5-(hydroxy-methyl-pyridin-4-yl-λ4-sulfanyl)-2-pyridinyl]-2-[4-(1-methylpiperidin-4-yl)oxyanilino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]-N-methylmethanesulfonamide;6-[4-(2,2-difluoropropylsulfonyl)-2-(trifluoromethyl)phenyl]-2-[4-(4-methylthiomorpholin-2-yl)anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[2-[2-(dimethylamino)ethylsulfonyl]-4-methylphenyl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one?

6-[2-chloro-4-(hydroxy-methyl-phenyl-λ4-sulfanyl)phenyl]-2-[4-(1-methylpiperidin-3-yl)oxyanilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;N-[2-[6-[3-chloro-5-(hydroxy-methyl-pyridin-4-yl-λ4-sulfanyl)-2-pyridinyl]-2-[4-(1-methylpiperidin-4-yl)oxyanilino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]-N-methylmethanesulfonamide;6-[4-(2,2-difluoropropylsulfonyl)-2-(trifluoromethyl)phenyl]-2-[4-(4-methylthiomorpholin-2-yl)anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[2-[2-(dimethylamino)ethylsulfonyl]-4-methylphenyl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 2939.32 g/mol, XLogP of 24.41, 41 rotatable bonds, 7 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-chloro-4-(hydroxy-methyl-phenyl-λ4-sulfanyl)phenyl]-2-[4-(1-methylpiperidin-3-yl)oxyanilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;N-[2-[6-[3-chloro-5-(hydroxy-methyl-pyridin-4-yl-λ4-sulfanyl)-2-pyridinyl]-2-[4-(1-methylpiperidin-4-yl)oxyanilino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]-N-methylmethanesulfonamide;6-[4-(2,2-difluoropropylsulfonyl)-2-(trifluoromethyl)phenyl]-2-[4-(4-methylthiomorpholin-2-yl)anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[2-[2-(dimethylamino)ethylsulfonyl]-4-methylphenyl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 157136603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).