Q0J
概要
| 表記: | 2-(4-fluorophenyl)-6-methyl-3-(pyridin-4-yl)pyrazolo[1,5-a]pyridine |
| 組成式: | C19 H14 F N3 |
| 電荷: | 0 |
| 化学式量: | 303.333 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 | 2-(4-fluorophenyl)-6-methyl-3-(pyridin-4-yl)pyrazolo[1,5-a]pyridine |
| OpenEye OEToolkits | 2.0.7 | 2-(4-fluorophenyl)-6-methyl-3-pyridin-4-yl-pyrazolo[1,5-a]pyridine |
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 | c1c(C)ccc2n1nc(c2c3ccncc3)c4ccc(cc4)F |
| InChI | InChI | 1.03 | InChI=1S/C19H14FN3/c1-13-2-7-17-18(14-8-10-21-11-9-14)19(22-23(17)12-13)15-3-5-16(20)6-4-15/h2-12H,1H3 |
| InChIKey | InChI | 1.03 | DLJKUEGEDDMTMQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccc2n(c1)nc(c3ccc(F)cc3)c2c4ccncc4 |
| SMILES | CACTVS | 3.385 | Cc1ccc2n(c1)nc(c3ccc(F)cc3)c2c4ccncc4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccc2c(c(nn2c1)c3ccc(cc3)F)c4ccncc4 |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccc2c(c(nn2c1)c3ccc(cc3)F)c4ccncc4 |
