cyclopropyl[rel-(3aR,7aS)-5-(1-methylpiperidin-4-yl)-7a-(3-methyl-1H-1,2,4-triazol-5-yl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]methanone
Chemical Structure Depiction of
cyclopropyl[rel-(3aR,7aS)-5-(1-methylpiperidin-4-yl)-7a-(3-methyl-1H-1,2,4-triazol-5-yl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]methanone
cyclopropyl[rel-(3aR,7aS)-5-(1-methylpiperidin-4-yl)-7a-(3-methyl-1H-1,2,4-triazol-5-yl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]methanone
Compound characteristics
| Compound ID: | SB23-0938 |
| Compound Name: | cyclopropyl[rel-(3aR,7aS)-5-(1-methylpiperidin-4-yl)-7a-(3-methyl-1H-1,2,4-triazol-5-yl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]methanone |
| Molecular Weight: | 372.51 |
| Molecular Formula: | C20 H32 N6 O |
| Smiles: | Cc1nc([C@]23CCN(C[C@@H]3CN(C2)C(C2CC2)=O)C2CCN(C)CC2)[nH]n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.8377 |
| logD: | -1.1105 |
| logSw: | -1.2221 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.465 |
| InChI Key: | HSXBXAYDGTYTLU-OXJNMPFZSA-N |