6-[2-chloro-4-(methylidene-oxo-phenyl-λ6-sulfanyl)phenyl]-8-ethyl-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-[2-(dimethylamino)ethylsulfonyl]-4-methylphenyl]-2-[4-[(1-methylpyrrolidin-3-yl)methyl]anilino]-8-(1-methylsulfonylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;N-[2-[6-[2-fluoro-4-(methylidene-oxo-propan-2-yl-λ6-sulfanyl)phenyl]-7-oxo-2-[4-(piperidin-3-ylmethyl)anilino]pyrido[2,3-d]pyrimidin-8-yl]ethyl]-N-methylmethanesulfonamide;6-[1-(2-methoxyethylsulfonyl)-3,5-dimethylpyrazol-4-yl]-8-[(2-methylphenyl)methyl]-2-[4-(piperidin-4-ylmethyl)anilino]pyrido[2,3-d]pyrimidin-7-one

C137H161ClFN25O16S6 — CID 158353473

About 6-[2-chloro-4-(methylidene-oxo-phenyl-λ6-sulfanyl)phenyl]-8-ethyl-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-[2-(dimethylamino)ethylsulfonyl]-4-methylphenyl]-2-[4-[(1-methylpyrrolidin-3-yl)methyl]anilino]-8-(1-methylsulfonylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;N-[2-[6-[2-fluoro-4-(methylidene-oxo-propan-2-yl-λ6-sulfanyl)phenyl]-7-oxo-2-[4-(piperidin-3-ylmethyl)anilino]pyrido[2,3-d]pyrimidin-8-yl]ethyl]-N-methylmethanesulfonamide;6-[1-(2-methoxyethylsulfonyl)-3,5-dimethylpyrazol-4-yl]-8-[(2-methylphenyl)methyl]-2-[4-(piperidin-4-ylmethyl)anilino]pyrido[2,3-d]pyrimidin-7-one

6-[2-chloro-4-(methylidene-oxo-phenyl-λ6-sulfanyl)phenyl]-8-ethyl-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-[2-(dimethylamino)ethylsulfonyl]-4-methylphenyl]-2-[4-[(1-methylpyrrolidin-3-yl)methyl]anilino]-8-(1-methylsulfonylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;N-[2-[6-[2-fluoro-4-(methylidene-oxo-propan-2-yl-λ6-sulfanyl)phenyl]-7-oxo-2-[4-(piperidin-3-ylmethyl)anilino]pyrido[2,3-d]pyrimidin-8-yl]ethyl]-N-methylmethanesulfonamide;6-[1-(2-methoxyethylsulfonyl)-3,5-dimethylpyrazol-4-yl]-8-[(2-methylphenyl)methyl]-2-[4-(piperidin-4-ylmethyl)anilino]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 158353473) has the molecular formula C137H161ClFN25O16S6 and a molecular weight of 2660.81 g/mol. Its IUPAC name is 6-[2-chloro-4-(methylidene-oxo-phenyl-λ6-sulfanyl)phenyl]-8-ethyl-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-[2-(dimethylamino)ethylsulfonyl]-4-methylphenyl]-2-[4-[(1-methylpyrrolidin-3-yl)methyl]anilino]-8-(1-methylsulfonylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;N-[2-[6-[2-fluoro-4-(methylidene-oxo-propan-2-yl-λ6-sulfanyl)phenyl]-7-oxo-2-[4-(piperidin-3-ylmethyl)anilino]pyrido[2,3-d]pyrimidin-8-yl]ethyl]-N-methylmethanesulfonamide;6-[1-(2-methoxyethylsulfonyl)-3,5-dimethylpyrazol-4-yl]-8-[(2-methylphenyl)methyl]-2-[4-(piperidin-4-ylmethyl)anilino]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 6-[2-chloro-4-(methylidene-oxo-phenyl-λ6-sulfanyl)phenyl]-8-ethyl-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-[2-(dimethylamino)ethylsulfonyl]-4-methylphenyl]-2-[4-[(1-methylpyrrolidin-3-yl)methyl]anilino]-8-(1-methylsulfonylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;N-[2-[6-[2-fluoro-4-(methylidene-oxo-propan-2-yl-λ6-sulfanyl)phenyl]-7-oxo-2-[4-(piperidin-3-ylmethyl)anilino]pyrido[2,3-d]pyrimidin-8-yl]ethyl]-N-methylmethanesulfonamide;6-[1-(2-methoxyethylsulfonyl)-3,5-dimethylpyrazol-4-yl]-8-[(2-methylphenyl)methyl]-2-[4-(piperidin-4-ylmethyl)anilino]pyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 158353473
• Molecular Formula: C137H161ClFN25O16S6
• Molecular Weight: 2660.81 g/mol
• Exact Mass: 2658.05
• IUPAC Name: 6-[2-chloro-4-(methylidene-oxo-phenyl-λ6-sulfanyl)phenyl]-8-ethyl-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-[2-(dimethylamino)ethylsulfonyl]-4-methylphenyl]-2-[4-[(1-methylpyrrolidin-3-yl)methyl]anilino]-8-(1-methylsulfonylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;N-[2-[6-[2-fluoro-4-(methylidene-oxo-propan-2-yl-λ6-sulfanyl)phenyl]-7-oxo-2-[4-(piperidin-3-ylmethyl)anilino]pyrido[2,3-d]pyrimidin-8-yl]ethyl]-N-methylmethanesulfonamide;6-[1-(2-methoxyethylsulfonyl)-3,5-dimethylpyrazol-4-yl]-8-[(2-methylphenyl)methyl]-2-[4-(piperidin-4-ylmethyl)anilino]pyrido[2,3-d]pyrimidin-7-one
• SMILES: C=S(=O)(c1ccc(-c2cc3cnc(Nc4ccc(CC5CCCNC5)cc4)nc3n(CCN(C)S(C)(=O)=O)c2=O)c(F)c1)C(C)C.C=S(=O)(c1ccccc1)c1ccc(-c2cc3cnc(Nc4ccc(C5CN(C)CCO5)cc4)nc3n(CC)c2=O)c(Cl)c1.COCCS(=O)(=O)n1nc(C)c(-c2cc3cnc(Nc4ccc(CC5CCNCC5)cc4)nc3n(Cc3ccccc3C)c2=O)c1C.Cc1ccc(-c2cc3cnc(Nc4ccc(CC5CCN(C)C5)cc4)nc3n(C3CCN(S(C)(=O)=O)CC3)c2=O)c(S(=O)(=O)CCN(C)C)c1
• InChI: InChI=1S/C36H47N7O5S2.C35H41N7O4S.C33H32ClN5O3S.C33H41FN6O4S2/c1-25-6-11-31(33(20-25)50(47,48)19-18-40(2)3)32-22-28-23-37-36(38-29-9-7-26(8-10-29)21-27-12-15-41(4)24-27)39-34(28)43(35(32)44)30-13-16-42(17-14-30)49(5,45)46;1-23-7-5-6-8-28(23)22-41-33-29(20-31(34(41)43)32-24(2)40-42(25(32)3)47(44,45)18-17-46-4)21-37-35(39-33)38-30-11-9-26(10-12-30)19-27-13-15-36-16-14-27;1-4-39-31-23(20-35-33(37-31)36-24-12-10-22(11-13-24)30-21-38(2)16-17-42-30)18-28(32(39)40)27-15-14-26(19-29(27)34)43(3,41)25-8-6-5-7-9-25;1-22(2)45(4,42)27-12-13-28(30(34)19-27)29-18-25-21-36-33(38-31(25)40(32(29)41)16-15-39(3)46(5,43)44)37-26-10-8-23(9-11-26)17-24-7-6-14-35-20-24/h6-11,20,22-23,27,30H,12-19,21,24H2,1-5H3,(H,37,38,39);5-12,20-21,27,36H,13-19,22H2,1-4H3,(H,37,38,39);5-15,18-20,30H,3-4,16-17,21H2,1-2H3,(H,35,36,37);8-13,18-19,21-22,24,35H,4,6-7,14-17,20H2,1-3,5H3,(H,36,37,38)
• InChIKey: GSPGAPHIFJENOL-UHFFFAOYSA-N
• XLogP: 18.95
• TPSA: 486.48 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 39
• Rotatable Bonds: 40
• Heavy Atoms: 186
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2660.81
LogP ≤ 5	18.95
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-[2-chloro-4-(methylidene-oxo-phenyl-λ6-sulfanyl)phenyl]-8-ethyl-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-[2-(dimethylamino)ethylsulfonyl]-4-methylphenyl]-2-[4-[(1-methylpyrrolidin-3-yl)methyl]anilino]-8-(1-methylsulfonylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;N-[2-[6-[2-fluoro-4-(methylidene-oxo-propan-2-yl-λ6-sulfanyl)phenyl]-7-oxo-2-[4-(piperidin-3-ylmethyl)anilino]pyrido[2,3-d]pyrimidin-8-yl]ethyl]-N-methylmethanesulfonamide;6-[1-(2-methoxyethylsulfonyl)-3,5-dimethylpyrazol-4-yl]-8-[(2-methylphenyl)methyl]-2-[4-(piperidin-4-ylmethyl)anilino]pyrido[2,3-d]pyrimidin-7-one?

The IUPAC name of 6-[2-chloro-4-(methylidene-oxo-phenyl-λ6-sulfanyl)phenyl]-8-ethyl-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-[2-(dimethylamino)ethylsulfonyl]-4-methylphenyl]-2-[4-[(1-methylpyrrolidin-3-yl)methyl]anilino]-8-(1-methylsulfonylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;N-[2-[6-[2-fluoro-4-(methylidene-oxo-propan-2-yl-λ6-sulfanyl)phenyl]-7-oxo-2-[4-(piperidin-3-ylmethyl)anilino]pyrido[2,3-d]pyrimidin-8-yl]ethyl]-N-methylmethanesulfonamide;6-[1-(2-methoxyethylsulfonyl)-3,5-dimethylpyrazol-4-yl]-8-[(2-methylphenyl)methyl]-2-[4-(piperidin-4-ylmethyl)anilino]pyrido[2,3-d]pyrimidin-7-one (CID 158353473) is 6-[2-chloro-4-(methylidene-oxo-phenyl-λ6-sulfanyl)phenyl]-8-ethyl-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-[2-(dimethylamino)ethylsulfonyl]-4-methylphenyl]-2-[4-[(1-methylpyrrolidin-3-yl)methyl]anilino]-8-(1-methylsulfonylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;N-[2-[6-[2-fluoro-4-(methylidene-oxo-propan-2-yl-λ6-sulfanyl)phenyl]-7-oxo-2-[4-(piperidin-3-ylmethyl)anilino]pyrido[2,3-d]pyrimidin-8-yl]ethyl]-N-methylmethanesulfonamide;6-[1-(2-methoxyethylsulfonyl)-3,5-dimethylpyrazol-4-yl]-8-[(2-methylphenyl)methyl]-2-[4-(piperidin-4-ylmethyl)anilino]pyrido[2,3-d]pyrimidin-7-one.

What is the SMILES notation for 6-[2-chloro-4-(methylidene-oxo-phenyl-λ6-sulfanyl)phenyl]-8-ethyl-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-[2-(dimethylamino)ethylsulfonyl]-4-methylphenyl]-2-[4-[(1-methylpyrrolidin-3-yl)methyl]anilino]-8-(1-methylsulfonylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;N-[2-[6-[2-fluoro-4-(methylidene-oxo-propan-2-yl-λ6-sulfanyl)phenyl]-7-oxo-2-[4-(piperidin-3-ylmethyl)anilino]pyrido[2,3-d]pyrimidin-8-yl]ethyl]-N-methylmethanesulfonamide;6-[1-(2-methoxyethylsulfonyl)-3,5-dimethylpyrazol-4-yl]-8-[(2-methylphenyl)methyl]-2-[4-(piperidin-4-ylmethyl)anilino]pyrido[2,3-d]pyrimidin-7-one?

The canonical SMILES for 6-[2-chloro-4-(methylidene-oxo-phenyl-λ6-sulfanyl)phenyl]-8-ethyl-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-[2-(dimethylamino)ethylsulfonyl]-4-methylphenyl]-2-[4-[(1-methylpyrrolidin-3-yl)methyl]anilino]-8-(1-methylsulfonylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;N-[2-[6-[2-fluoro-4-(methylidene-oxo-propan-2-yl-λ6-sulfanyl)phenyl]-7-oxo-2-[4-(piperidin-3-ylmethyl)anilino]pyrido[2,3-d]pyrimidin-8-yl]ethyl]-N-methylmethanesulfonamide;6-[1-(2-methoxyethylsulfonyl)-3,5-dimethylpyrazol-4-yl]-8-[(2-methylphenyl)methyl]-2-[4-(piperidin-4-ylmethyl)anilino]pyrido[2,3-d]pyrimidin-7-one is C=S(=O)(c1ccc(-c2cc3cnc(Nc4ccc(CC5CCCNC5)cc4)nc3n(CCN(C)S(C)(=O)=O)c2=O)c(F)c1)C(C)C.C=S(=O)(c1ccccc1)c1ccc(-c2cc3cnc(Nc4ccc(C5CN(C)CCO5)cc4)nc3n(CC)c2=O)c(Cl)c1.COCCS(=O)(=O)n1nc(C)c(-c2cc3cnc(Nc4ccc(CC5CCNCC5)cc4)nc3n(Cc3ccccc3C)c2=O)c1C.Cc1ccc(-c2cc3cnc(Nc4ccc(CC5CCN(C)C5)cc4)nc3n(C3CCN(S(C)(=O)=O)CC3)c2=O)c(S(=O)(=O)CCN(C)C)c1.

What is the InChIKey of 6-[2-chloro-4-(methylidene-oxo-phenyl-λ6-sulfanyl)phenyl]-8-ethyl-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-[2-(dimethylamino)ethylsulfonyl]-4-methylphenyl]-2-[4-[(1-methylpyrrolidin-3-yl)methyl]anilino]-8-(1-methylsulfonylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;N-[2-[6-[2-fluoro-4-(methylidene-oxo-propan-2-yl-λ6-sulfanyl)phenyl]-7-oxo-2-[4-(piperidin-3-ylmethyl)anilino]pyrido[2,3-d]pyrimidin-8-yl]ethyl]-N-methylmethanesulfonamide;6-[1-(2-methoxyethylsulfonyl)-3,5-dimethylpyrazol-4-yl]-8-[(2-methylphenyl)methyl]-2-[4-(piperidin-4-ylmethyl)anilino]pyrido[2,3-d]pyrimidin-7-one?

The InChIKey is GSPGAPHIFJENOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H47N7O5S2.C35H41N7O4S.C33H32ClN5O3S.C33H41FN6O4S2/c1-25-6-11-31(33(20-25)50(47,48)19-18-40(2)3)32-22-28-23-37-36(38-29-9-7-26(8-10-29)21-27-12-15-41(4)24-27)39-34(28)43(35(32)44)30-13-16-42(17-14-30)49(5,45)46;1-23-7-5-6-8-28(23)22-41-33-29(20-31(34(41)43)32-24(2)40-42(25(32)3)47(44,45)18-17-46-4)21-37-35(39-33)38-30-11-9-26(10-12-30)19-27-13-15-36-16-14-27;1-4-39-31-23(20-35-33(37-31)36-24-12-10-22(11-13-24)30-21-38(2)16-17-42-30)18-28(32(39)40)27-15-14-26(19-29(27)34)43(3,41)25-8-6-5-7-9-25;1-22(2)45(4,42)27-12-13-28(30(34)19-27)29-18-25-21-36-33(38-31(25)40(32(29)41)16-15-39(3)46(5,43)44)37-26-10-8-23(9-11-26)17-24-7-6-14-35-20-24/h6-11,20,22-23,27,30H,12-19,21,24H2,1-5H3,(H,37,38,39);5-12,20-21,27,36H,13-19,22H2,1-4H3,(H,37,38,39);5-15,18-20,30H,3-4,16-17,21H2,1-2H3,(H,35,36,37);8-13,18-19,21-22,24,35H,4,6-7,14-17,20H2,1-3,5H3,(H,36,37,38).

What are the key properties of 6-[2-chloro-4-(methylidene-oxo-phenyl-λ6-sulfanyl)phenyl]-8-ethyl-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-[2-(dimethylamino)ethylsulfonyl]-4-methylphenyl]-2-[4-[(1-methylpyrrolidin-3-yl)methyl]anilino]-8-(1-methylsulfonylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;N-[2-[6-[2-fluoro-4-(methylidene-oxo-propan-2-yl-λ6-sulfanyl)phenyl]-7-oxo-2-[4-(piperidin-3-ylmethyl)anilino]pyrido[2,3-d]pyrimidin-8-yl]ethyl]-N-methylmethanesulfonamide;6-[1-(2-methoxyethylsulfonyl)-3,5-dimethylpyrazol-4-yl]-8-[(2-methylphenyl)methyl]-2-[4-(piperidin-4-ylmethyl)anilino]pyrido[2,3-d]pyrimidin-7-one?

6-[2-chloro-4-(methylidene-oxo-phenyl-λ6-sulfanyl)phenyl]-8-ethyl-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-[2-(dimethylamino)ethylsulfonyl]-4-methylphenyl]-2-[4-[(1-methylpyrrolidin-3-yl)methyl]anilino]-8-(1-methylsulfonylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;N-[2-[6-[2-fluoro-4-(methylidene-oxo-propan-2-yl-λ6-sulfanyl)phenyl]-7-oxo-2-[4-(piperidin-3-ylmethyl)anilino]pyrido[2,3-d]pyrimidin-8-yl]ethyl]-N-methylmethanesulfonamide;6-[1-(2-methoxyethylsulfonyl)-3,5-dimethylpyrazol-4-yl]-8-[(2-methylphenyl)methyl]-2-[4-(piperidin-4-ylmethyl)anilino]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 2660.81 g/mol, XLogP of 18.95, 40 rotatable bonds, 6 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-chloro-4-(methylidene-oxo-phenyl-λ6-sulfanyl)phenyl]-8-ethyl-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-[2-(dimethylamino)ethylsulfonyl]-4-methylphenyl]-2-[4-[(1-methylpyrrolidin-3-yl)methyl]anilino]-8-(1-methylsulfonylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;N-[2-[6-[2-fluoro-4-(methylidene-oxo-propan-2-yl-λ6-sulfanyl)phenyl]-7-oxo-2-[4-(piperidin-3-ylmethyl)anilino]pyrido[2,3-d]pyrimidin-8-yl]ethyl]-N-methylmethanesulfonamide;6-[1-(2-methoxyethylsulfonyl)-3,5-dimethylpyrazol-4-yl]-8-[(2-methylphenyl)methyl]-2-[4-(piperidin-4-ylmethyl)anilino]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 158353473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).