J2M
概要
| 表記: | N-{4-[3-(6-fluoropyridin-3-yl)-4-oxo-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridin-2-yl]pyridin-2-yl}acetamide |
| 組成式: | C19 H16 F N5 O2 |
| 電荷: | 0 |
| 化学式量: | 365.361 Da |
| 分子種別: | NON-POLYMER |
化合物名
| プログラム | バージョン | 表記 |
| ACDLabs | 12.01 | N-{4-[3-(6-fluoropyridin-3-yl)-4-oxo-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridin-2-yl]pyridin-2-yl}acetamide |
| OpenEye OEToolkits | 2.0.6 | ~{N}-[4-[3-(6-fluoranylpyridin-3-yl)-4-oxidanylidene-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl]pyridin-2-yl]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 |
| SMILES | ACDLabs | 12.01 | N1CCc4c(C1=O)c(c2cnc(cc2)F)c(c3cc(ncc3)NC(=O)C)n4 |
| InChI | InChI | 1.03 | InChI=1S/C19H16FN5O2/c1-10(26)24-15-8-11(4-6-21-15)18-16(12-2-3-14(20)23-9-12)17-13(25-18)5-7-22-19(17)27/h2-4,6,8-9,25H,5,7H2,1H3,(H,22,27)(H,21,24,26) |
| InChIKey | InChI | 1.03 | TVFRIMALFOJAAL-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)Nc1cc(ccn1)c2[nH]c3CCNC(=O)c3c2c4ccc(F)nc4 |
| SMILES | CACTVS | 3.385 | CC(=O)Nc1cc(ccn1)c2[nH]c3CCNC(=O)c3c2c4ccc(F)nc4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC(=O)Nc1cc(ccn1)c2c(c3c([nH]2)CCNC3=O)c4ccc(nc4)F |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC(=O)Nc1cc(ccn1)c2c(c3c([nH]2)CCNC3=O)c4ccc(nc4)F |
