UT5
概要
| 表記: | N-((1R,3R)-3-(7-(4-fluoro-2-methoxyphenyl)-3H-imidazo[4,5-b]pyridin-2-yl)cyclopentyl)acetamide |
| 別名: | ~{N}-[(1~{R},3~{R})-3-[7-(4-fluoranyl-2-methoxy-phenyl)-1~{H}-imidazo[4,5-b]pyridin-2-yl]cyclopentyl]ethanamide |
| 組成式: | C20 H21 F N4 O2 |
| 電荷: | 0 |
| 化学式量: | 368.405 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 | ~{N}-[(1~{R},3~{R})-3-[7-(4-fluoranyl-2-methoxy-phenyl)-1~{H}-imidazo[4,5-b]pyridin-2-yl]cyclopentyl]ethanamide |
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/C20H21FN4O2/c1-11(26)23-14-5-3-12(9-14)19-24-18-16(7-8-22-20(18)25-19)15-6-4-13(21)10-17(15)27-2/h4,6-8,10,12,14H,3,5,9H2,1-2H3,(H,23,26)(H,22,24,25)/t12-,14-/m1/s1 |
| InChIKey | InChI | 1.03 | KPPLCUYUCVJBTH-TZMCWYRMSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1cc(F)ccc1c2ccnc3nc([nH]c23)[C@@H]4CC[C@H](C4)NC(C)=O |
| SMILES | CACTVS | 3.385 | COc1cc(F)ccc1c2ccnc3nc([nH]c23)[CH]4CC[CH](C4)NC(C)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(=O)N[C@@H]1CC[C@H](C1)c2[nH]c3c(ccnc3n2)c4ccc(cc4OC)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(=O)NC1CCC(C1)c2[nH]c3c(ccnc3n2)c4ccc(cc4OC)F |
