I5N
概要
| 表記: | 5-cyclopropyl-6-(2,6-dimethylpyridin-4-yl)-~{N}-[(3~{R},4~{R})-3-fluoranylpiperidin-4-yl]-1~{H}-indazol-3-amine |
| 組成式: | C22 H26 F N5 |
| 電荷: | 0 |
| 化学式量: | 379.474 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 | 2.0.7 | 5-cyclopropyl-6-(2,6-dimethylpyridin-4-yl)-~{N}-[(3~{R},4~{R})-3-fluoranylpiperidin-4-yl]-1~{H}-indazol-3-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 | 1.06 | InChI=1S/C22H26FN5/c1-12-7-15(8-13(2)25-12)17-10-21-18(9-16(17)14-3-4-14)22(28-27-21)26-20-5-6-24-11-19(20)23/h7-10,14,19-20,24H,3-6,11H2,1-2H3,(H2,26,27,28)/t19-,20-/m1/s1 |
| InChIKey | InChI | 1.06 | JUSJRQVEHUHMRQ-WOJBJXKFSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1cc(cc(C)n1)c2cc3[nH]nc(N[C@@H]4CCNC[C@H]4F)c3cc2C5CC5 |
| SMILES | CACTVS | 3.385 | Cc1cc(cc(C)n1)c2cc3[nH]nc(N[CH]4CCNC[CH]4F)c3cc2C5CC5 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cc(cc(n1)C)c2cc3c(cc2C4CC4)c(n[nH]3)N[C@@H]5CCNC[C@H]5F |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cc(cc(n1)C)c2cc3c(cc2C4CC4)c(n[nH]3)NC5CCNCC5F |
