N8L
Summary
| Name: | 1-[(2~{S})-2-(5-methyl-3-pyridin-4-yl-1~{H}-pyrazol-4-yl)pyrrolidin-1-yl]propan-1-one |
| Formula: | C16 H20 N4 O |
| Formal charge: | 0 |
| Formula weight: | 284.356 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 1-[(2~{S})-2-(5-methyl-3-pyridin-4-yl-1~{H}-pyrazol-4-yl)pyrrolidin-1-yl]propan-1-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C16H20N4O/c1-3-14(21)20-10-4-5-13(20)15-11(2)18-19-16(15)12-6-8-17-9-7-12/h6-9,13H,3-5,10H2,1-2H3,(H,18,19)/t13-/m0/s1 |
| InChIKey | InChI | 1.06 | RISJZZLPUZQNDI-ZDUSSCGKSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCC(=O)N1CCC[C@H]1c2c(C)[nH]nc2c3ccncc3 |
| SMILES | CACTVS | 3.385 | CCC(=O)N1CCC[CH]1c2c(C)[nH]nc2c3ccncc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCC(=O)N1CCC[C@H]1c2c([nH]nc2c3ccncc3)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCC(=O)N1CCCC1c2c([nH]nc2c3ccncc3)C |
