6-[2,6-dichloro-4-(1-methylpyrrol-2-yl)phenyl]-2-[4-(1-methylpiperidin-4-yl)oxyanilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-6-[2-(3-methylimidazol-4-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one;N-methyl-N-[2-[2-[4-(1-methylpiperidin-3-yl)oxyanilino]-7-oxo-6-[4-pyridin-4-yl-2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide;6-[1-(2-methylpyrazol-3-yl)imidazol-2-yl]-8-(1-methylsulfonylpiperidin-4-yl)-2-[4-(4-methylthiomorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one

C134H136Cl2F7N31O10S3 — CID 158049169

About 6-[2,6-dichloro-4-(1-methylpyrrol-2-yl)phenyl]-2-[4-(1-methylpiperidin-4-yl)oxyanilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-6-[2-(3-methylimidazol-4-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one;N-methyl-N-[2-[2-[4-(1-methylpiperidin-3-yl)oxyanilino]-7-oxo-6-[4-pyridin-4-yl-2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide;6-[1-(2-methylpyrazol-3-yl)imidazol-2-yl]-8-(1-methylsulfonylpiperidin-4-yl)-2-[4-(4-methylthiomorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one

6-[2,6-dichloro-4-(1-methylpyrrol-2-yl)phenyl]-2-[4-(1-methylpiperidin-4-yl)oxyanilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-6-[2-(3-methylimidazol-4-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one;N-methyl-N-[2-[2-[4-(1-methylpiperidin-3-yl)oxyanilino]-7-oxo-6-[4-pyridin-4-yl-2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide;6-[1-(2-methylpyrazol-3-yl)imidazol-2-yl]-8-(1-methylsulfonylpiperidin-4-yl)-2-[4-(4-methylthiomorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 158049169) has the molecular formula C134H136Cl2F7N31O10S3 and a molecular weight of 2640.86 g/mol. Its IUPAC name is 6-[2,6-dichloro-4-(1-methylpyrrol-2-yl)phenyl]-2-[4-(1-methylpiperidin-4-yl)oxyanilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-6-[2-(3-methylimidazol-4-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one;N-methyl-N-[2-[2-[4-(1-methylpiperidin-3-yl)oxyanilino]-7-oxo-6-[4-pyridin-4-yl-2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide;6-[1-(2-methylpyrazol-3-yl)imidazol-2-yl]-8-(1-methylsulfonylpiperidin-4-yl)-2-[4-(4-methylthiomorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 6-[2,6-dichloro-4-(1-methylpyrrol-2-yl)phenyl]-2-[4-(1-methylpiperidin-4-yl)oxyanilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-6-[2-(3-methylimidazol-4-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one;N-methyl-N-[2-[2-[4-(1-methylpiperidin-3-yl)oxyanilino]-7-oxo-6-[4-pyridin-4-yl-2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide;6-[1-(2-methylpyrazol-3-yl)imidazol-2-yl]-8-(1-methylsulfonylpiperidin-4-yl)-2-[4-(4-methylthiomorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 158049169
• Molecular Formula: C134H136Cl2F7N31O10S3
• Molecular Weight: 2640.86 g/mol
• Exact Mass: 2637.95
• IUPAC Name: 6-[2,6-dichloro-4-(1-methylpyrrol-2-yl)phenyl]-2-[4-(1-methylpiperidin-4-yl)oxyanilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-6-[2-(3-methylimidazol-4-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one;N-methyl-N-[2-[2-[4-(1-methylpiperidin-3-yl)oxyanilino]-7-oxo-6-[4-pyridin-4-yl-2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide;6-[1-(2-methylpyrazol-3-yl)imidazol-2-yl]-8-(1-methylsulfonylpiperidin-4-yl)-2-[4-(4-methylthiomorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one
• SMILES: CCn1c(=O)c(-c2ccccc2-c2cncn2C)cc2cnc(Nc3ccc(N4CCNC(C)C4)c(F)c3)nc21.CN1CCC(Oc2ccc(Nc3ncc4cc(-c5c(Cl)cc(-c6cccn6C)cc5Cl)c(=O)n(Cc5ccccc5C(F)(F)F)c4n3)cc2)CC1.CN1CCCC(Oc2ccc(Nc3ncc4cc(-c5ccc(-c6ccncc6)cc5C(F)(F)F)c(=O)n(CCN(C)S(C)(=O)=O)c4n3)cc2)C1.CN1CCSC(c2ccc(Nc3ncc4cc(-c5nccn5-c5ccnn5C)c(=O)n(C5CCN(S(C)(=O)=O)CC5)c4n3)cc2)C1
• InChI: InChI=1S/C38H33Cl2F3N6O2.C35H36F3N7O4S.C31H36N10O3S2.C30H31FN8O/c1-47-16-13-28(14-17-47)51-27-11-9-26(10-12-27)45-37-44-21-25-18-29(34-31(39)19-24(20-32(34)40)33-8-5-15-48(33)2)36(50)49(35(25)46-37)22-23-6-3-4-7-30(23)38(41,42)43;1-43-16-4-5-28(22-43)49-27-9-7-26(8-10-27)41-34-40-21-25-19-30(33(46)45(32(25)42-34)18-17-44(2)50(3,47)48)29-11-6-24(20-31(29)35(36,37)38)23-12-14-39-15-13-23;1-37-16-17-45-26(20-37)21-4-6-23(7-5-21)35-31-33-19-22-18-25(29-32-12-15-40(29)27-8-11-34-38(27)2)30(42)41(28(22)36-31)24-9-13-39(14-10-24)46(3,43)44;1-4-39-28-20(13-24(29(39)40)22-7-5-6-8-23(22)27-16-32-18-37(27)3)15-34-30(36-28)35-21-9-10-26(25(31)14-21)38-12-11-33-19(2)17-38/h3-12,15,18-21,28H,13-14,16-17,22H2,1-2H3,(H,44,45,46);6-15,19-21,28H,4-5,16-18,22H2,1-3H3,(H,40,41,42);4-8,11-12,15,18-19,24,26H,9-10,13-14,16-17,20H2,1-3H3,(H,33,35,36);5-10,13-16,18-19,33H,4,11-12,17H2,1-3H3,(H,34,35,36)
• InChIKey: FJGRZAGDRLOAMY-UHFFFAOYSA-N
• XLogP: 22.70
• TPSA: 428.73 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 40
• Rotatable Bonds: 31
• Heavy Atoms: 187
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2640.86
LogP ≤ 5	22.70
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[2,6-dichloro-4-(1-methylpyrrol-2-yl)phenyl]-2-[4-(1-methylpiperidin-4-yl)oxyanilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-6-[2-(3-methylimidazol-4-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one;N-methyl-N-[2-[2-[4-(1-methylpiperidin-3-yl)oxyanilino]-7-oxo-6-[4-pyridin-4-yl-2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide;6-[1-(2-methylpyrazol-3-yl)imidazol-2-yl]-8-(1-methylsulfonylpiperidin-4-yl)-2-[4-(4-methylthiomorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one?

The IUPAC name of 6-[2,6-dichloro-4-(1-methylpyrrol-2-yl)phenyl]-2-[4-(1-methylpiperidin-4-yl)oxyanilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-6-[2-(3-methylimidazol-4-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one;N-methyl-N-[2-[2-[4-(1-methylpiperidin-3-yl)oxyanilino]-7-oxo-6-[4-pyridin-4-yl-2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide;6-[1-(2-methylpyrazol-3-yl)imidazol-2-yl]-8-(1-methylsulfonylpiperidin-4-yl)-2-[4-(4-methylthiomorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one (CID 158049169) is 6-[2,6-dichloro-4-(1-methylpyrrol-2-yl)phenyl]-2-[4-(1-methylpiperidin-4-yl)oxyanilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-6-[2-(3-methylimidazol-4-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one;N-methyl-N-[2-[2-[4-(1-methylpiperidin-3-yl)oxyanilino]-7-oxo-6-[4-pyridin-4-yl-2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide;6-[1-(2-methylpyrazol-3-yl)imidazol-2-yl]-8-(1-methylsulfonylpiperidin-4-yl)-2-[4-(4-methylthiomorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one.

What is the SMILES notation for 6-[2,6-dichloro-4-(1-methylpyrrol-2-yl)phenyl]-2-[4-(1-methylpiperidin-4-yl)oxyanilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-6-[2-(3-methylimidazol-4-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one;N-methyl-N-[2-[2-[4-(1-methylpiperidin-3-yl)oxyanilino]-7-oxo-6-[4-pyridin-4-yl-2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide;6-[1-(2-methylpyrazol-3-yl)imidazol-2-yl]-8-(1-methylsulfonylpiperidin-4-yl)-2-[4-(4-methylthiomorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one?

The canonical SMILES for 6-[2,6-dichloro-4-(1-methylpyrrol-2-yl)phenyl]-2-[4-(1-methylpiperidin-4-yl)oxyanilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-6-[2-(3-methylimidazol-4-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one;N-methyl-N-[2-[2-[4-(1-methylpiperidin-3-yl)oxyanilino]-7-oxo-6-[4-pyridin-4-yl-2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide;6-[1-(2-methylpyrazol-3-yl)imidazol-2-yl]-8-(1-methylsulfonylpiperidin-4-yl)-2-[4-(4-methylthiomorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one is CCn1c(=O)c(-c2ccccc2-c2cncn2C)cc2cnc(Nc3ccc(N4CCNC(C)C4)c(F)c3)nc21.CN1CCC(Oc2ccc(Nc3ncc4cc(-c5c(Cl)cc(-c6cccn6C)cc5Cl)c(=O)n(Cc5ccccc5C(F)(F)F)c4n3)cc2)CC1.CN1CCCC(Oc2ccc(Nc3ncc4cc(-c5ccc(-c6ccncc6)cc5C(F)(F)F)c(=O)n(CCN(C)S(C)(=O)=O)c4n3)cc2)C1.CN1CCSC(c2ccc(Nc3ncc4cc(-c5nccn5-c5ccnn5C)c(=O)n(C5CCN(S(C)(=O)=O)CC5)c4n3)cc2)C1.

What is the InChIKey of 6-[2,6-dichloro-4-(1-methylpyrrol-2-yl)phenyl]-2-[4-(1-methylpiperidin-4-yl)oxyanilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-6-[2-(3-methylimidazol-4-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one;N-methyl-N-[2-[2-[4-(1-methylpiperidin-3-yl)oxyanilino]-7-oxo-6-[4-pyridin-4-yl-2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide;6-[1-(2-methylpyrazol-3-yl)imidazol-2-yl]-8-(1-methylsulfonylpiperidin-4-yl)-2-[4-(4-methylthiomorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one?

The InChIKey is FJGRZAGDRLOAMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H33Cl2F3N6O2.C35H36F3N7O4S.C31H36N10O3S2.C30H31FN8O/c1-47-16-13-28(14-17-47)51-27-11-9-26(10-12-27)45-37-44-21-25-18-29(34-31(39)19-24(20-32(34)40)33-8-5-15-48(33)2)36(50)49(35(25)46-37)22-23-6-3-4-7-30(23)38(41,42)43;1-43-16-4-5-28(22-43)49-27-9-7-26(8-10-27)41-34-40-21-25-19-30(33(46)45(32(25)42-34)18-17-44(2)50(3,47)48)29-11-6-24(20-31(29)35(36,37)38)23-12-14-39-15-13-23;1-37-16-17-45-26(20-37)21-4-6-23(7-5-21)35-31-33-19-22-18-25(29-32-12-15-40(29)27-8-11-34-38(27)2)30(42)41(28(22)36-31)24-9-13-39(14-10-24)46(3,43)44;1-4-39-28-20(13-24(29(39)40)22-7-5-6-8-23(22)27-16-32-18-37(27)3)15-34-30(36-28)35-21-9-10-26(25(31)14-21)38-12-11-33-19(2)17-38/h3-12,15,18-21,28H,13-14,16-17,22H2,1-2H3,(H,44,45,46);6-15,19-21,28H,4-5,16-18,22H2,1-3H3,(H,40,41,42);4-8,11-12,15,18-19,24,26H,9-10,13-14,16-17,20H2,1-3H3,(H,33,35,36);5-10,13-16,18-19,33H,4,11-12,17H2,1-3H3,(H,34,35,36).

What are the key properties of 6-[2,6-dichloro-4-(1-methylpyrrol-2-yl)phenyl]-2-[4-(1-methylpiperidin-4-yl)oxyanilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-6-[2-(3-methylimidazol-4-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one;N-methyl-N-[2-[2-[4-(1-methylpiperidin-3-yl)oxyanilino]-7-oxo-6-[4-pyridin-4-yl-2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide;6-[1-(2-methylpyrazol-3-yl)imidazol-2-yl]-8-(1-methylsulfonylpiperidin-4-yl)-2-[4-(4-methylthiomorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one?

6-[2,6-dichloro-4-(1-methylpyrrol-2-yl)phenyl]-2-[4-(1-methylpiperidin-4-yl)oxyanilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-6-[2-(3-methylimidazol-4-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one;N-methyl-N-[2-[2-[4-(1-methylpiperidin-3-yl)oxyanilino]-7-oxo-6-[4-pyridin-4-yl-2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide;6-[1-(2-methylpyrazol-3-yl)imidazol-2-yl]-8-(1-methylsulfonylpiperidin-4-yl)-2-[4-(4-methylthiomorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 2640.86 g/mol, XLogP of 22.70, 31 rotatable bonds, 5 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2,6-dichloro-4-(1-methylpyrrol-2-yl)phenyl]-2-[4-(1-methylpiperidin-4-yl)oxyanilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-6-[2-(3-methylimidazol-4-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one;N-methyl-N-[2-[2-[4-(1-methylpiperidin-3-yl)oxyanilino]-7-oxo-6-[4-pyridin-4-yl-2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide;6-[1-(2-methylpyrazol-3-yl)imidazol-2-yl]-8-(1-methylsulfonylpiperidin-4-yl)-2-[4-(4-methylthiomorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 158049169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).