4ZJ
概要
| 表記: | N-[2-[(3R,4S)-3-fluoranyl-4-methoxy-piperidin-1-yl]pyrimidin-4-yl]-2-methyl-1-propan-2-yl-imidazo[4,5-c]pyridin-6-amine |
| 組成式: | C20 H26 F N7 O |
| 電荷: | 0 |
| 化学式量: | 399.465 Da |
| 分子種別: | NON-POLYMER |
化合物名
| プログラム | バージョン | 表記 |
| OpenEye OEToolkits | 1.9.2 | N-[2-[(3R,4S)-3-fluoranyl-4-methoxy-piperidin-1-yl]pyrimidin-4-yl]-2-methyl-1-propan-2-yl-imidazo[4,5-c]pyridin-6-amine |
化合物記述子（線形表記）
| 種別 | プログラム | バージョン | 表記 |
| InChI | InChI | 1.03 | InChI=1S/C20H26FN7O/c1-12(2)28-13(3)24-15-10-23-19(9-16(15)28)25-18-5-7-22-20(26-18)27-8-6-17(29-4)14(21)11-27/h5,7,9-10,12,14,17H,6,8,11H2,1-4H3,(H,22,23,25,26)/t14-,17+/m1/s1 |
| InChIKey | InChI | 1.03 | WBAMFNDJQOEJFN-PBHICJAKSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CO[C@H]1CCN(C[C@H]1F)c2nccc(Nc3cc4n(C(C)C)c(C)nc4cn3)n2 |
| SMILES | CACTVS | 3.385 | CO[CH]1CCN(C[CH]1F)c2nccc(Nc3cc4n(C(C)C)c(C)nc4cn3)n2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | Cc1nc2cnc(cc2n1C(C)C)Nc3ccnc(n3)N4CC[C@@H]([C@@H](C4)F)OC |
| SMILES | OpenEye OEToolkits | 1.9.2 | Cc1nc2cnc(cc2n1C(C)C)Nc3ccnc(n3)N4CCC(C(C4)F)OC |
