2-methoxy-1-[rel-(3aR,7aR)-2-[(1-methyl-1H-pyrrol-2-yl)methyl]-7a-(3-methyl-1H-1,2,4-triazol-5-yl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]ethan-1-one
Chemical Structure Depiction of
2-methoxy-1-[rel-(3aR,7aR)-2-[(1-methyl-1H-pyrrol-2-yl)methyl]-7a-(3-methyl-1H-1,2,4-triazol-5-yl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]ethan-1-one
2-methoxy-1-[rel-(3aR,7aR)-2-[(1-methyl-1H-pyrrol-2-yl)methyl]-7a-(3-methyl-1H-1,2,4-triazol-5-yl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]ethan-1-one
Compound characteristics
| Compound ID: | SB23-0761 |
| Compound Name: | 2-methoxy-1-[rel-(3aR,7aR)-2-[(1-methyl-1H-pyrrol-2-yl)methyl]-7a-(3-methyl-1H-1,2,4-triazol-5-yl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]ethan-1-one |
| Molecular Weight: | 372.47 |
| Molecular Formula: | C19 H28 N6 O2 |
| Smiles: | Cc1nc([C@]23CCN(C[C@@H]3CN(Cc3cccn3C)C2)C(COC)=O)[nH]n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.2536 |
| logD: | -2.6853 |
| logSw: | -1.64 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.978 |
| InChI Key: | XIVNYQYAXJIMMH-HNAYVOBHSA-N |