[rel-(3aR,7aR)-2-(cyclopropanecarbonyl)-7a-(3-methyl-1H-1,2,4-triazol-5-yl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl](1-methyl-1H-imidazol-4-yl)methanone
Chemical Structure Depiction of
[rel-(3aR,7aR)-2-(cyclopropanecarbonyl)-7a-(3-methyl-1H-1,2,4-triazol-5-yl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl](1-methyl-1H-imidazol-4-yl)methanone
[rel-(3aR,7aR)-2-(cyclopropanecarbonyl)-7a-(3-methyl-1H-1,2,4-triazol-5-yl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl](1-methyl-1H-imidazol-4-yl)methanone
Compound characteristics
| Compound ID: | SB23-0957 |
| Compound Name: | [rel-(3aR,7aR)-2-(cyclopropanecarbonyl)-7a-(3-methyl-1H-1,2,4-triazol-5-yl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl](1-methyl-1H-imidazol-4-yl)methanone |
| Molecular Weight: | 383.45 |
| Molecular Formula: | C19 H25 N7 O2 |
| Smiles: | Cc1nc([C@]23CCN(C[C@@H]3CN(C2)C(C2CC2)=O)C(c2cn(C)cn2)=O)[nH]n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | -0.0194 |
| logD: | -0.0198 |
| logSw: | -1.4806 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.987 |
| InChI Key: | YCWOUZGUHKCRIH-AUUYWEPGSA-N |