6-[3-chloro-5-[methylidene-(1-methylpiperidin-4-yl)-λ4-sulfanyl]-2-pyridinyl]-8-[2-(dimethylamino)ethyl]-2-[4-[methyl(piperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2,6-dichloro-4-(cyclopropyl-methylidene-oxo-λ6-sulfanyl)phenyl]-2-[4-[(1-methylpiperidin-4-yl)methyl]anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;N-methyl-N-[2-[6-[2-methyl-5-(methylidene-oxo-propan-2-yl-λ6-sulfanyl)phenyl]-7-oxo-2-[4-(piperidin-4-ylmethyl)anilino]pyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide;6-(2-methyl-4-methylsulfonylphenyl)-2-[4-[(1-methylpiperidin-3-yl)methyl]anilino]-8-phenylpyrido[2,3-d]pyrimidin-7-one

C135H157Cl3F3N25O10S5 — CID 157168334

About 6-[3-chloro-5-[methylidene-(1-methylpiperidin-4-yl)-λ4-sulfanyl]-2-pyridinyl]-8-[2-(dimethylamino)ethyl]-2-[4-[methyl(piperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2,6-dichloro-4-(cyclopropyl-methylidene-oxo-λ6-sulfanyl)phenyl]-2-[4-[(1-methylpiperidin-4-yl)methyl]anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;N-methyl-N-[2-[6-[2-methyl-5-(methylidene-oxo-propan-2-yl-λ6-sulfanyl)phenyl]-7-oxo-2-[4-(piperidin-4-ylmethyl)anilino]pyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide;6-(2-methyl-4-methylsulfonylphenyl)-2-[4-[(1-methylpiperidin-3-yl)methyl]anilino]-8-phenylpyrido[2,3-d]pyrimidin-7-one

6-[3-chloro-5-[methylidene-(1-methylpiperidin-4-yl)-λ4-sulfanyl]-2-pyridinyl]-8-[2-(dimethylamino)ethyl]-2-[4-[methyl(piperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2,6-dichloro-4-(cyclopropyl-methylidene-oxo-λ6-sulfanyl)phenyl]-2-[4-[(1-methylpiperidin-4-yl)methyl]anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;N-methyl-N-[2-[6-[2-methyl-5-(methylidene-oxo-propan-2-yl-λ6-sulfanyl)phenyl]-7-oxo-2-[4-(piperidin-4-ylmethyl)anilino]pyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide;6-(2-methyl-4-methylsulfonylphenyl)-2-[4-[(1-methylpiperidin-3-yl)methyl]anilino]-8-phenylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 157168334) has the molecular formula C135H157Cl3F3N25O10S5 and a molecular weight of 2613.59 g/mol. Its IUPAC name is 6-[3-chloro-5-[methylidene-(1-methylpiperidin-4-yl)-λ4-sulfanyl]-2-pyridinyl]-8-[2-(dimethylamino)ethyl]-2-[4-[methyl(piperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2,6-dichloro-4-(cyclopropyl-methylidene-oxo-λ6-sulfanyl)phenyl]-2-[4-[(1-methylpiperidin-4-yl)methyl]anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;N-methyl-N-[2-[6-[2-methyl-5-(methylidene-oxo-propan-2-yl-λ6-sulfanyl)phenyl]-7-oxo-2-[4-(piperidin-4-ylmethyl)anilino]pyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide;6-(2-methyl-4-methylsulfonylphenyl)-2-[4-[(1-methylpiperidin-3-yl)methyl]anilino]-8-phenylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 6-[3-chloro-5-[methylidene-(1-methylpiperidin-4-yl)-λ4-sulfanyl]-2-pyridinyl]-8-[2-(dimethylamino)ethyl]-2-[4-[methyl(piperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2,6-dichloro-4-(cyclopropyl-methylidene-oxo-λ6-sulfanyl)phenyl]-2-[4-[(1-methylpiperidin-4-yl)methyl]anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;N-methyl-N-[2-[6-[2-methyl-5-(methylidene-oxo-propan-2-yl-λ6-sulfanyl)phenyl]-7-oxo-2-[4-(piperidin-4-ylmethyl)anilino]pyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide;6-(2-methyl-4-methylsulfonylphenyl)-2-[4-[(1-methylpiperidin-3-yl)methyl]anilino]-8-phenylpyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 157168334
• Molecular Formula: C135H157Cl3F3N25O10S5
• Molecular Weight: 2613.59 g/mol
• Exact Mass: 2610.02
• IUPAC Name: 6-[3-chloro-5-[methylidene-(1-methylpiperidin-4-yl)-λ4-sulfanyl]-2-pyridinyl]-8-[2-(dimethylamino)ethyl]-2-[4-[methyl(piperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2,6-dichloro-4-(cyclopropyl-methylidene-oxo-λ6-sulfanyl)phenyl]-2-[4-[(1-methylpiperidin-4-yl)methyl]anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;N-methyl-N-[2-[6-[2-methyl-5-(methylidene-oxo-propan-2-yl-λ6-sulfanyl)phenyl]-7-oxo-2-[4-(piperidin-4-ylmethyl)anilino]pyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide;6-(2-methyl-4-methylsulfonylphenyl)-2-[4-[(1-methylpiperidin-3-yl)methyl]anilino]-8-phenylpyrido[2,3-d]pyrimidin-7-one
• SMILES: C=S(=O)(c1cc(Cl)c(-c2cc3cnc(Nc4ccc(CC5CCN(C)CC5)cc4)nc3n(CC(F)(F)F)c2=O)c(Cl)c1)C1CC1.C=S(=O)(c1ccc(C)c(-c2cc3cnc(Nc4ccc(CC5CCNCC5)cc4)nc3n(CCN(C)S(C)(=O)=O)c2=O)c1)C(C)C.C=S(c1cnc(-c2cc3cnc(Nc4ccc(N(C)C5CCNCC5)cc4)nc3n(CCN(C)C)c2=O)c(Cl)c1)C1CCN(C)CC1.Cc1cc(S(C)(=O)=O)ccc1-c1cc2cnc(Nc3ccc(CC4CCCN(C)C4)cc3)nc2n(-c2ccccc2)c1=O
• InChI: InChI=1S/C35H46ClN9OS.C34H44N6O4S2.C34H35N5O3S.C32H32Cl2F3N5O2S/c1-42(2)18-19-45-33-24(22-39-35(41-33)40-25-6-8-26(9-7-25)44(4)27-10-14-37-15-11-27)20-30(34(45)46)32-31(36)21-29(23-38-32)47(5)28-12-16-43(3)17-13-28;1-23(2)45(5,42)29-12-7-24(3)30(21-29)31-20-27-22-36-34(38-32(27)40(33(31)41)18-17-39(4)46(6,43)44)37-28-10-8-25(9-11-28)19-26-13-15-35-16-14-26;1-23-18-29(43(3,41)42)15-16-30(23)31-20-26-21-35-34(37-32(26)39(33(31)40)28-9-5-4-6-10-28)36-27-13-11-24(12-14-27)19-25-8-7-17-38(2)22-25;1-41-11-9-20(10-12-41)13-19-3-5-22(6-4-19)39-31-38-17-21-14-25(30(43)42(29(21)40-31)18-32(35,36)37)28-26(33)15-24(16-27(28)34)45(2,44)23-7-8-23/h6-9,20-23,27-28,37H,5,10-19H2,1-4H3,(H,39,40,41);7-12,20-23,26,35H,5,13-19H2,1-4,6H3,(H,36,37,38);4-6,9-16,18,20-21,25H,7-8,17,19,22H2,1-3H3,(H,35,36,37);3-6,14-17,20,23H,2,7-13,18H2,1H3,(H,38,39,40)
• InChIKey: ANEDQOISLIESLR-UHFFFAOYSA-N
• XLogP: 22.56
• TPSA: 398.05 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 34
• Rotatable Bonds: 36
• Heavy Atoms: 181
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2613.59
LogP ≤ 5	22.56
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[3-chloro-5-[methylidene-(1-methylpiperidin-4-yl)-λ4-sulfanyl]-2-pyridinyl]-8-[2-(dimethylamino)ethyl]-2-[4-[methyl(piperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2,6-dichloro-4-(cyclopropyl-methylidene-oxo-λ6-sulfanyl)phenyl]-2-[4-[(1-methylpiperidin-4-yl)methyl]anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;N-methyl-N-[2-[6-[2-methyl-5-(methylidene-oxo-propan-2-yl-λ6-sulfanyl)phenyl]-7-oxo-2-[4-(piperidin-4-ylmethyl)anilino]pyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide;6-(2-methyl-4-methylsulfonylphenyl)-2-[4-[(1-methylpiperidin-3-yl)methyl]anilino]-8-phenylpyrido[2,3-d]pyrimidin-7-one?

The IUPAC name of 6-[3-chloro-5-[methylidene-(1-methylpiperidin-4-yl)-λ4-sulfanyl]-2-pyridinyl]-8-[2-(dimethylamino)ethyl]-2-[4-[methyl(piperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2,6-dichloro-4-(cyclopropyl-methylidene-oxo-λ6-sulfanyl)phenyl]-2-[4-[(1-methylpiperidin-4-yl)methyl]anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;N-methyl-N-[2-[6-[2-methyl-5-(methylidene-oxo-propan-2-yl-λ6-sulfanyl)phenyl]-7-oxo-2-[4-(piperidin-4-ylmethyl)anilino]pyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide;6-(2-methyl-4-methylsulfonylphenyl)-2-[4-[(1-methylpiperidin-3-yl)methyl]anilino]-8-phenylpyrido[2,3-d]pyrimidin-7-one (CID 157168334) is 6-[3-chloro-5-[methylidene-(1-methylpiperidin-4-yl)-λ4-sulfanyl]-2-pyridinyl]-8-[2-(dimethylamino)ethyl]-2-[4-[methyl(piperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2,6-dichloro-4-(cyclopropyl-methylidene-oxo-λ6-sulfanyl)phenyl]-2-[4-[(1-methylpiperidin-4-yl)methyl]anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;N-methyl-N-[2-[6-[2-methyl-5-(methylidene-oxo-propan-2-yl-λ6-sulfanyl)phenyl]-7-oxo-2-[4-(piperidin-4-ylmethyl)anilino]pyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide;6-(2-methyl-4-methylsulfonylphenyl)-2-[4-[(1-methylpiperidin-3-yl)methyl]anilino]-8-phenylpyrido[2,3-d]pyrimidin-7-one.

What is the SMILES notation for 6-[3-chloro-5-[methylidene-(1-methylpiperidin-4-yl)-λ4-sulfanyl]-2-pyridinyl]-8-[2-(dimethylamino)ethyl]-2-[4-[methyl(piperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2,6-dichloro-4-(cyclopropyl-methylidene-oxo-λ6-sulfanyl)phenyl]-2-[4-[(1-methylpiperidin-4-yl)methyl]anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;N-methyl-N-[2-[6-[2-methyl-5-(methylidene-oxo-propan-2-yl-λ6-sulfanyl)phenyl]-7-oxo-2-[4-(piperidin-4-ylmethyl)anilino]pyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide;6-(2-methyl-4-methylsulfonylphenyl)-2-[4-[(1-methylpiperidin-3-yl)methyl]anilino]-8-phenylpyrido[2,3-d]pyrimidin-7-one?

The canonical SMILES for 6-[3-chloro-5-[methylidene-(1-methylpiperidin-4-yl)-λ4-sulfanyl]-2-pyridinyl]-8-[2-(dimethylamino)ethyl]-2-[4-[methyl(piperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2,6-dichloro-4-(cyclopropyl-methylidene-oxo-λ6-sulfanyl)phenyl]-2-[4-[(1-methylpiperidin-4-yl)methyl]anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;N-methyl-N-[2-[6-[2-methyl-5-(methylidene-oxo-propan-2-yl-λ6-sulfanyl)phenyl]-7-oxo-2-[4-(piperidin-4-ylmethyl)anilino]pyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide;6-(2-methyl-4-methylsulfonylphenyl)-2-[4-[(1-methylpiperidin-3-yl)methyl]anilino]-8-phenylpyrido[2,3-d]pyrimidin-7-one is C=S(=O)(c1cc(Cl)c(-c2cc3cnc(Nc4ccc(CC5CCN(C)CC5)cc4)nc3n(CC(F)(F)F)c2=O)c(Cl)c1)C1CC1.C=S(=O)(c1ccc(C)c(-c2cc3cnc(Nc4ccc(CC5CCNCC5)cc4)nc3n(CCN(C)S(C)(=O)=O)c2=O)c1)C(C)C.C=S(c1cnc(-c2cc3cnc(Nc4ccc(N(C)C5CCNCC5)cc4)nc3n(CCN(C)C)c2=O)c(Cl)c1)C1CCN(C)CC1.Cc1cc(S(C)(=O)=O)ccc1-c1cc2cnc(Nc3ccc(CC4CCCN(C)C4)cc3)nc2n(-c2ccccc2)c1=O.

What is the InChIKey of 6-[3-chloro-5-[methylidene-(1-methylpiperidin-4-yl)-λ4-sulfanyl]-2-pyridinyl]-8-[2-(dimethylamino)ethyl]-2-[4-[methyl(piperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2,6-dichloro-4-(cyclopropyl-methylidene-oxo-λ6-sulfanyl)phenyl]-2-[4-[(1-methylpiperidin-4-yl)methyl]anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;N-methyl-N-[2-[6-[2-methyl-5-(methylidene-oxo-propan-2-yl-λ6-sulfanyl)phenyl]-7-oxo-2-[4-(piperidin-4-ylmethyl)anilino]pyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide;6-(2-methyl-4-methylsulfonylphenyl)-2-[4-[(1-methylpiperidin-3-yl)methyl]anilino]-8-phenylpyrido[2,3-d]pyrimidin-7-one?

The InChIKey is ANEDQOISLIESLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H46ClN9OS.C34H44N6O4S2.C34H35N5O3S.C32H32Cl2F3N5O2S/c1-42(2)18-19-45-33-24(22-39-35(41-33)40-25-6-8-26(9-7-25)44(4)27-10-14-37-15-11-27)20-30(34(45)46)32-31(36)21-29(23-38-32)47(5)28-12-16-43(3)17-13-28;1-23(2)45(5,42)29-12-7-24(3)30(21-29)31-20-27-22-36-34(38-32(27)40(33(31)41)18-17-39(4)46(6,43)44)37-28-10-8-25(9-11-28)19-26-13-15-35-16-14-26;1-23-18-29(43(3,41)42)15-16-30(23)31-20-26-21-35-34(37-32(26)39(33(31)40)28-9-5-4-6-10-28)36-27-13-11-24(12-14-27)19-25-8-7-17-38(2)22-25;1-41-11-9-20(10-12-41)13-19-3-5-22(6-4-19)39-31-38-17-21-14-25(30(43)42(29(21)40-31)18-32(35,36)37)28-26(33)15-24(16-27(28)34)45(2,44)23-7-8-23/h6-9,20-23,27-28,37H,5,10-19H2,1-4H3,(H,39,40,41);7-12,20-23,26,35H,5,13-19H2,1-4,6H3,(H,36,37,38);4-6,9-16,18,20-21,25H,7-8,17,19,22H2,1-3H3,(H,35,36,37);3-6,14-17,20,23H,2,7-13,18H2,1H3,(H,38,39,40).

What are the key properties of 6-[3-chloro-5-[methylidene-(1-methylpiperidin-4-yl)-λ4-sulfanyl]-2-pyridinyl]-8-[2-(dimethylamino)ethyl]-2-[4-[methyl(piperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2,6-dichloro-4-(cyclopropyl-methylidene-oxo-λ6-sulfanyl)phenyl]-2-[4-[(1-methylpiperidin-4-yl)methyl]anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;N-methyl-N-[2-[6-[2-methyl-5-(methylidene-oxo-propan-2-yl-λ6-sulfanyl)phenyl]-7-oxo-2-[4-(piperidin-4-ylmethyl)anilino]pyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide;6-(2-methyl-4-methylsulfonylphenyl)-2-[4-[(1-methylpiperidin-3-yl)methyl]anilino]-8-phenylpyrido[2,3-d]pyrimidin-7-one?

6-[3-chloro-5-[methylidene-(1-methylpiperidin-4-yl)-λ4-sulfanyl]-2-pyridinyl]-8-[2-(dimethylamino)ethyl]-2-[4-[methyl(piperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2,6-dichloro-4-(cyclopropyl-methylidene-oxo-λ6-sulfanyl)phenyl]-2-[4-[(1-methylpiperidin-4-yl)methyl]anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;N-methyl-N-[2-[6-[2-methyl-5-(methylidene-oxo-propan-2-yl-λ6-sulfanyl)phenyl]-7-oxo-2-[4-(piperidin-4-ylmethyl)anilino]pyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide;6-(2-methyl-4-methylsulfonylphenyl)-2-[4-[(1-methylpiperidin-3-yl)methyl]anilino]-8-phenylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 2613.59 g/mol, XLogP of 22.56, 36 rotatable bonds, 6 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[3-chloro-5-[methylidene-(1-methylpiperidin-4-yl)-λ4-sulfanyl]-2-pyridinyl]-8-[2-(dimethylamino)ethyl]-2-[4-[methyl(piperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2,6-dichloro-4-(cyclopropyl-methylidene-oxo-λ6-sulfanyl)phenyl]-2-[4-[(1-methylpiperidin-4-yl)methyl]anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;N-methyl-N-[2-[6-[2-methyl-5-(methylidene-oxo-propan-2-yl-λ6-sulfanyl)phenyl]-7-oxo-2-[4-(piperidin-4-ylmethyl)anilino]pyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide;6-(2-methyl-4-methylsulfonylphenyl)-2-[4-[(1-methylpiperidin-3-yl)methyl]anilino]-8-phenylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 157168334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).