C132H134F16N28O6 — CID 159091216
2-[[2-(2-fluoro-4-piperidin-1-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;2-N-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]-4-N-(2-pyrimidin-2-ylphenyl)-5-(trifluoromethyl)pyridine-2,4-diamine;1-[2-[[2-(2-methoxy-4-piperidin-1-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]phenyl]propan-2-one;2-N-(2-methoxy-4-piperidin-1-ylphenyl)-4-N-(2-pyrimidin-2-ylphenyl)-5-(trifluoromethyl)pyridine-2,4-diamine;N-methyl-2-[[2-[(5-piperidin-1-yl-2-pyridinyl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide (PubChem CID 159091216) has the molecular formula C132H134F16N28O6 and a molecular weight of 2512.68 g/mol. Its IUPAC name is 2-[[2-(2-fluoro-4-piperidin-1-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;2-N-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]-4-N-(2-pyrimidin-2-ylphenyl)-5-(trifluoromethyl)pyridine-2,4-diamine;1-[2-[[2-(2-methoxy-4-piperidin-1-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]phenyl]propan-2-one;2-N-(2-methoxy-4-piperidin-1-ylphenyl)-4-N-(2-pyrimidin-2-ylphenyl)-5-(trifluoromethyl)pyridine-2,4-diamine;N-methyl-2-[[2-[(5-piperidin-1-yl-2-pyridinyl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide.
| Compound Name | 2-[[2-(2-fluoro-4-piperidin-1-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;2-N-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]-4-N-(2-pyrimidin-2-ylphenyl)-5-(trifluoromethyl)pyridine-2,4-diamine;1-[2-[[2-(2-methoxy-4-piperidin-1-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]phenyl]propan-2-one;2-N-(2-methoxy-4-piperidin-1-ylphenyl)-4-N-(2-pyrimidin-2-ylphenyl)-5-(trifluoromethyl)pyridine-2,4-diamine;N-methyl-2-[[2-[(5-piperidin-1-yl-2-pyridinyl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide |
|---|---|
| PubChem CID | 159091216 |
| Molecular Formula | C132H134F16N28O6 |
| Molecular Weight | 2512.68 g/mol |
| Exact Mass | 2511.08 |
| IUPAC Name | 2-[[2-(2-fluoro-4-piperidin-1-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;2-N-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]-4-N-(2-pyrimidin-2-ylphenyl)-5-(trifluoromethyl)pyridine-2,4-diamine;1-[2-[[2-(2-methoxy-4-piperidin-1-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]phenyl]propan-2-one;2-N-(2-methoxy-4-piperidin-1-ylphenyl)-4-N-(2-pyrimidin-2-ylphenyl)-5-(trifluoromethyl)pyridine-2,4-diamine;N-methyl-2-[[2-[(5-piperidin-1-yl-2-pyridinyl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide |
| SMILES | CNC(=O)c1ccccc1Nc1cc(Nc2ccc(N3CCCCC3)cc2F)ncc1C(F)(F)F.CNC(=O)c1ccccc1Nc1cc(Nc2ccc(N3CCCCC3)cn2)ncc1C(F)(F)F.COc1cc(N2CCCCC2)ccc1Nc1cc(Nc2ccccc2-c2ncccn2)c(C(F)(F)F)cn1.COc1cc(N2CCCCC2)ccc1Nc1cc(Nc2ccccc2CC(C)=O)c(C(F)(F)F)cn1.COc1cc(N2CCN(C)CC2)ccc1Nc1cc(Nc2ccccc2-c2ncccn2)c(C(F)(F)F)cn1 |
| InChI | InChI=1S/C28H28F3N7O.C28H27F3N6O.C27H29F3N4O2.C25H25F4N5O.C24H25F3N6O/c1-37-12-14-38(15-13-37)19-8-9-23(25(16-19)39-2)36-26-17-24(21(18-34-26)28(29,30)31)35-22-7-4-3-6-20(22)27-32-10-5-11-33-27;1-38-25-16-19(37-14-5-2-6-15-37)10-11-23(25)36-26-17-24(21(18-34-26)28(29,30)31)35-22-9-4-3-8-20(22)27-32-12-7-13-33-27;1-18(35)14-19-8-4-5-9-22(19)32-24-16-26(31-17-21(24)27(28,29)30)33-23-11-10-20(15-25(23)36-2)34-12-6-3-7-13-34;1-30-24(35)17-7-3-4-8-20(17)32-22-14-23(31-15-18(22)25(27,28)29)33-21-10-9-16(13-19(21)26)34-11-5-2-6-12-34;1-28-23(34)17-7-3-4-8-19(17)31-20-13-22(30-15-18(20)24(25,26)27)32-21-10-9-16(14-29-21)33-11-5-2-6-12-33/h3-11,16-18H,12-15H2,1-2H3,(H2,34,35,36);3-4,7-13,16-18H,2,5-6,14-15H2,1H3,(H2,34,35,36);4-5,8-11,15-17H,3,6-7,12-14H2,1-2H3,(H2,31,32,33);3-4,7-10,13-15H,2,5-6,11-12H2,1H3,(H,30,35)(H2,31,32,33);3-4,7-10,13-15H,2,5-6,11-12H2,1H3,(H,28,34)(H2,29,30,31,32) |
| InChIKey | KCBUHOKBTUWDHR-UHFFFAOYSA-N |
| XLogP | 30.98 |
| TPSA | 371.60 Ų |
| H-Bond Donors | 12 |
| H-Bond Acceptors | 32 |
| Rotatable Bonds | 34 |
| Heavy Atoms | 182 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2512.68 |
| LogP ≤ 5 | 30.98 |
| H-Bond Donors ≤ 5 | 12 |
| H-Bond Acceptors ≤ 10 | 32 |