2-methyl-1-[rel-(3aR,7aS)-5-[(1-methyl-1H-indol-3-yl)methyl]-7a-(3-methyl-1H-1,2,4-triazol-5-yl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]propan-1-one
Chemical Structure Depiction of
2-methyl-1-[rel-(3aR,7aS)-5-[(1-methyl-1H-indol-3-yl)methyl]-7a-(3-methyl-1H-1,2,4-triazol-5-yl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]propan-1-one
2-methyl-1-[rel-(3aR,7aS)-5-[(1-methyl-1H-indol-3-yl)methyl]-7a-(3-methyl-1H-1,2,4-triazol-5-yl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]propan-1-one
Compound characteristics
| Compound ID: | SB23-1274 |
| Compound Name: | 2-methyl-1-[rel-(3aR,7aS)-5-[(1-methyl-1H-indol-3-yl)methyl]-7a-(3-methyl-1H-1,2,4-triazol-5-yl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]propan-1-one |
| Molecular Weight: | 420.56 |
| Molecular Formula: | C24 H32 N6 O |
| Smiles: | CC(C)C(N1C[C@H]2CN(CC[C@]2(C1)c1nc(C)n[nH]1)Cc1cn(C)c2ccccc12)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.6104 |
| logD: | -1.1585 |
| logSw: | -2.7449 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.743 |
| InChI Key: | ZACGABVBWKSBEI-YADARESESA-N |