CWP
概要
| 表記: | N-[(1,3-dimethyl-1H-pyrazol-5-yl)methyl]-5-methyl-3H-imidazo[4,5-b]pyridin-2-amine |
| 組成式: | C13 H16 N6 |
| 電荷: | 0 |
| 化学式量: | 256.306 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-[(1,3-dimethyl-1H-pyrazol-5-yl)methyl]-5-methyl-3H-imidazo[4,5-b]pyridin-2-amine |
| OpenEye OEToolkits | 2.0.6 | ~{N}-[(2,5-dimethylpyrazol-3-yl)methyl]-5-methyl-3~{H}-imidazo[4,5-b]pyridin-2-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 |
| SMILES | ACDLabs | 12.01 | c1(nc2c(n1)ccc(C)n2)NCc3cc(C)nn3C |
| InChI | InChI | 1.03 | InChI=1S/C13H16N6/c1-8-4-5-11-12(15-8)17-13(16-11)14-7-10-6-9(2)18-19(10)3/h4-6H,7H2,1-3H3,(H2,14,15,16,17) |
| InChIKey | InChI | 1.03 | CZOWPFJOPIQOCT-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cn1nc(C)cc1CNc2[nH]c3nc(C)ccc3n2 |
| SMILES | CACTVS | 3.385 | Cn1nc(C)cc1CNc2[nH]c3nc(C)ccc3n2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1ccc2c(n1)[nH]c(n2)NCc3cc(nn3C)C |
| SMILES | OpenEye OEToolkits | 2.0.6 | Cc1ccc2c(n1)[nH]c(n2)NCc3cc(nn3C)C |
