2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-6-(5-methyl-2-piperidin-4-ylpyrimidin-4-yl)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;2-(3-fluoro-4-piperazin-1-ylanilino)-6-[4-(5-methylthiophen-2-yl)phenyl]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;methane;6-[1-methyl-4-(1-methylpiperidin-4-yl)imidazol-2-yl]-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;6-[3-methyl-5-(1-methylpiperidin-4-yl)-2-pyridinyl]-2-[4-(1-methylpiperidin-4-yl)oxyanilino]-8-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-7-one

C134H153F8N31O6S — CID 160807482

About 2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-6-(5-methyl-2-piperidin-4-ylpyrimidin-4-yl)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;2-(3-fluoro-4-piperazin-1-ylanilino)-6-[4-(5-methylthiophen-2-yl)phenyl]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;methane;6-[1-methyl-4-(1-methylpiperidin-4-yl)imidazol-2-yl]-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;6-[3-methyl-5-(1-methylpiperidin-4-yl)-2-pyridinyl]-2-[4-(1-methylpiperidin-4-yl)oxyanilino]-8-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-7-one

2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-6-(5-methyl-2-piperidin-4-ylpyrimidin-4-yl)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;2-(3-fluoro-4-piperazin-1-ylanilino)-6-[4-(5-methylthiophen-2-yl)phenyl]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;methane;6-[1-methyl-4-(1-methylpiperidin-4-yl)imidazol-2-yl]-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;6-[3-methyl-5-(1-methylpiperidin-4-yl)-2-pyridinyl]-2-[4-(1-methylpiperidin-4-yl)oxyanilino]-8-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 160807482) has the molecular formula C134H153F8N31O6S and a molecular weight of 2477.96 g/mol. Its IUPAC name is 2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-6-(5-methyl-2-piperidin-4-ylpyrimidin-4-yl)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;2-(3-fluoro-4-piperazin-1-ylanilino)-6-[4-(5-methylthiophen-2-yl)phenyl]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;methane;6-[1-methyl-4-(1-methylpiperidin-4-yl)imidazol-2-yl]-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;6-[3-methyl-5-(1-methylpiperidin-4-yl)-2-pyridinyl]-2-[4-(1-methylpiperidin-4-yl)oxyanilino]-8-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-6-(5-methyl-2-piperidin-4-ylpyrimidin-4-yl)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;2-(3-fluoro-4-piperazin-1-ylanilino)-6-[4-(5-methylthiophen-2-yl)phenyl]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;methane;6-[1-methyl-4-(1-methylpiperidin-4-yl)imidazol-2-yl]-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;6-[3-methyl-5-(1-methylpiperidin-4-yl)-2-pyridinyl]-2-[4-(1-methylpiperidin-4-yl)oxyanilino]-8-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 160807482
• Molecular Formula: C134H153F8N31O6S
• Molecular Weight: 2477.96 g/mol
• Exact Mass: 2476.22
• IUPAC Name: 2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-6-(5-methyl-2-piperidin-4-ylpyrimidin-4-yl)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;2-(3-fluoro-4-piperazin-1-ylanilino)-6-[4-(5-methylthiophen-2-yl)phenyl]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;methane;6-[1-methyl-4-(1-methylpiperidin-4-yl)imidazol-2-yl]-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;6-[3-methyl-5-(1-methylpiperidin-4-yl)-2-pyridinyl]-2-[4-(1-methylpiperidin-4-yl)oxyanilino]-8-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-7-one
• SMILES: C.CC(C)n1c(=O)c(-c2nc(C3CCN(C)CC3)cn2C)cc2cnc(Nc3ccc(N(C)C4CCNCC4)cc3)nc21.Cc1cc(C2CCN(C)CC2)cnc1-c1cc2cnc(Nc3ccc(OC4CCN(C)CC4)cc3)nc2n(C2CCOC2)c1=O.Cc1ccc(-c2ccc(-c3cc4cnc(Nc5ccc(N6CCNCC6)c(F)c5)nc4n(Cc4ccccc4C(F)(F)F)c3=O)cc2)s1.Cc1cnc(C2CCNCC2)nc1-c1cc2cnc(Nc3ccc(N4CCNCC4C)c(F)c3)nc2n(CC(F)(F)F)c1=O
• InChI: InChI=1S/C36H30F4N6OS.C35H43N7O3.C32H43N9O.C30H33F4N9O.CH4/c1-22-6-13-32(48-22)24-9-7-23(8-10-24)28-18-26-20-42-35(43-27-11-12-31(30(37)19-27)45-16-14-41-15-17-45)44-33(26)46(34(28)47)21-25-4-2-3-5-29(25)36(38,39)40;1-23-18-25(24-8-13-40(2)14-9-24)20-36-32(23)31-19-26-21-37-35(39-33(26)42(34(31)43)28-12-17-44-22-28)38-27-4-6-29(7-5-27)45-30-10-15-41(3)16-11-30;1-21(2)41-29-23(18-27(31(41)42)30-36-28(20-39(30)4)22-12-16-38(3)17-13-22)19-34-32(37-29)35-24-6-8-25(9-7-24)40(5)26-10-14-33-15-11-26;1-17-13-37-26(19-5-7-35-8-6-19)40-25(17)22-11-20-15-38-29(41-27(20)43(28(22)44)16-30(32,33)34)39-21-3-4-24(23(31)12-21)42-10-9-36-14-18(42)2;/h2-13,18-20,41H,14-17,21H2,1H3,(H,42,43,44);4-7,18-21,24,28,30H,8-17,22H2,1-3H3,(H,37,38,39);6-9,18-22,26,33H,10-17H2,1-5H3,(H,34,35,37);3-4,11-13,15,18-19,35-36H,5-10,14,16H2,1-2H3,(H,38,39,41);1H4
• InChIKey: SDWNRMNNLQFPLC-UHFFFAOYSA-N
• XLogP: 22.42
• TPSA: 381.75 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 38
• Rotatable Bonds: 27
• Heavy Atoms: 180
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2477.96
LogP ≤ 5	22.42
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-6-(5-methyl-2-piperidin-4-ylpyrimidin-4-yl)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;2-(3-fluoro-4-piperazin-1-ylanilino)-6-[4-(5-methylthiophen-2-yl)phenyl]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;methane;6-[1-methyl-4-(1-methylpiperidin-4-yl)imidazol-2-yl]-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;6-[3-methyl-5-(1-methylpiperidin-4-yl)-2-pyridinyl]-2-[4-(1-methylpiperidin-4-yl)oxyanilino]-8-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-7-one?

The IUPAC name of 2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-6-(5-methyl-2-piperidin-4-ylpyrimidin-4-yl)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;2-(3-fluoro-4-piperazin-1-ylanilino)-6-[4-(5-methylthiophen-2-yl)phenyl]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;methane;6-[1-methyl-4-(1-methylpiperidin-4-yl)imidazol-2-yl]-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;6-[3-methyl-5-(1-methylpiperidin-4-yl)-2-pyridinyl]-2-[4-(1-methylpiperidin-4-yl)oxyanilino]-8-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-7-one (CID 160807482) is 2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-6-(5-methyl-2-piperidin-4-ylpyrimidin-4-yl)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;2-(3-fluoro-4-piperazin-1-ylanilino)-6-[4-(5-methylthiophen-2-yl)phenyl]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;methane;6-[1-methyl-4-(1-methylpiperidin-4-yl)imidazol-2-yl]-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;6-[3-methyl-5-(1-methylpiperidin-4-yl)-2-pyridinyl]-2-[4-(1-methylpiperidin-4-yl)oxyanilino]-8-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-7-one.

What is the SMILES notation for 2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-6-(5-methyl-2-piperidin-4-ylpyrimidin-4-yl)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;2-(3-fluoro-4-piperazin-1-ylanilino)-6-[4-(5-methylthiophen-2-yl)phenyl]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;methane;6-[1-methyl-4-(1-methylpiperidin-4-yl)imidazol-2-yl]-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;6-[3-methyl-5-(1-methylpiperidin-4-yl)-2-pyridinyl]-2-[4-(1-methylpiperidin-4-yl)oxyanilino]-8-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-7-one?

The canonical SMILES for 2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-6-(5-methyl-2-piperidin-4-ylpyrimidin-4-yl)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;2-(3-fluoro-4-piperazin-1-ylanilino)-6-[4-(5-methylthiophen-2-yl)phenyl]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;methane;6-[1-methyl-4-(1-methylpiperidin-4-yl)imidazol-2-yl]-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;6-[3-methyl-5-(1-methylpiperidin-4-yl)-2-pyridinyl]-2-[4-(1-methylpiperidin-4-yl)oxyanilino]-8-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-7-one is C.CC(C)n1c(=O)c(-c2nc(C3CCN(C)CC3)cn2C)cc2cnc(Nc3ccc(N(C)C4CCNCC4)cc3)nc21.Cc1cc(C2CCN(C)CC2)cnc1-c1cc2cnc(Nc3ccc(OC4CCN(C)CC4)cc3)nc2n(C2CCOC2)c1=O.Cc1ccc(-c2ccc(-c3cc4cnc(Nc5ccc(N6CCNCC6)c(F)c5)nc4n(Cc4ccccc4C(F)(F)F)c3=O)cc2)s1.Cc1cnc(C2CCNCC2)nc1-c1cc2cnc(Nc3ccc(N4CCNCC4C)c(F)c3)nc2n(CC(F)(F)F)c1=O.

What is the InChIKey of 2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-6-(5-methyl-2-piperidin-4-ylpyrimidin-4-yl)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;2-(3-fluoro-4-piperazin-1-ylanilino)-6-[4-(5-methylthiophen-2-yl)phenyl]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;methane;6-[1-methyl-4-(1-methylpiperidin-4-yl)imidazol-2-yl]-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;6-[3-methyl-5-(1-methylpiperidin-4-yl)-2-pyridinyl]-2-[4-(1-methylpiperidin-4-yl)oxyanilino]-8-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-7-one?

The InChIKey is SDWNRMNNLQFPLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H30F4N6OS.C35H43N7O3.C32H43N9O.C30H33F4N9O.CH4/c1-22-6-13-32(48-22)24-9-7-23(8-10-24)28-18-26-20-42-35(43-27-11-12-31(30(37)19-27)45-16-14-41-15-17-45)44-33(26)46(34(28)47)21-25-4-2-3-5-29(25)36(38,39)40;1-23-18-25(24-8-13-40(2)14-9-24)20-36-32(23)31-19-26-21-37-35(39-33(26)42(34(31)43)28-12-17-44-22-28)38-27-4-6-29(7-5-27)45-30-10-15-41(3)16-11-30;1-21(2)41-29-23(18-27(31(41)42)30-36-28(20-39(30)4)22-12-16-38(3)17-13-22)19-34-32(37-29)35-24-6-8-25(9-7-24)40(5)26-10-14-33-15-11-26;1-17-13-37-26(19-5-7-35-8-6-19)40-25(17)22-11-20-15-38-29(41-27(20)43(28(22)44)16-30(32,33)34)39-21-3-4-24(23(31)12-21)42-10-9-36-14-18(42)2;/h2-13,18-20,41H,14-17,21H2,1H3,(H,42,43,44);4-7,18-21,24,28,30H,8-17,22H2,1-3H3,(H,37,38,39);6-9,18-22,26,33H,10-17H2,1-5H3,(H,34,35,37);3-4,11-13,15,18-19,35-36H,5-10,14,16H2,1-2H3,(H,38,39,41);1H4.

What are the key properties of 2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-6-(5-methyl-2-piperidin-4-ylpyrimidin-4-yl)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;2-(3-fluoro-4-piperazin-1-ylanilino)-6-[4-(5-methylthiophen-2-yl)phenyl]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;methane;6-[1-methyl-4-(1-methylpiperidin-4-yl)imidazol-2-yl]-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;6-[3-methyl-5-(1-methylpiperidin-4-yl)-2-pyridinyl]-2-[4-(1-methylpiperidin-4-yl)oxyanilino]-8-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-7-one?

2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-6-(5-methyl-2-piperidin-4-ylpyrimidin-4-yl)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;2-(3-fluoro-4-piperazin-1-ylanilino)-6-[4-(5-methylthiophen-2-yl)phenyl]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;methane;6-[1-methyl-4-(1-methylpiperidin-4-yl)imidazol-2-yl]-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;6-[3-methyl-5-(1-methylpiperidin-4-yl)-2-pyridinyl]-2-[4-(1-methylpiperidin-4-yl)oxyanilino]-8-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 2477.96 g/mol, XLogP of 22.42, 27 rotatable bonds, 8 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-6-(5-methyl-2-piperidin-4-ylpyrimidin-4-yl)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;2-(3-fluoro-4-piperazin-1-ylanilino)-6-[4-(5-methylthiophen-2-yl)phenyl]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;methane;6-[1-methyl-4-(1-methylpiperidin-4-yl)imidazol-2-yl]-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;6-[3-methyl-5-(1-methylpiperidin-4-yl)-2-pyridinyl]-2-[4-(1-methylpiperidin-4-yl)oxyanilino]-8-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 160807482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).