1-[rel-(3aR,7aS)-5-[(1-ethyl-1H-indol-3-yl)methyl]-7a-(3-methyl-1H-1,2,4-triazol-5-yl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-methylpropan-1-one
Chemical Structure Depiction of
1-[rel-(3aR,7aS)-5-[(1-ethyl-1H-indol-3-yl)methyl]-7a-(3-methyl-1H-1,2,4-triazol-5-yl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-methylpropan-1-one
1-[rel-(3aR,7aS)-5-[(1-ethyl-1H-indol-3-yl)methyl]-7a-(3-methyl-1H-1,2,4-triazol-5-yl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-methylpropan-1-one
Compound characteristics
| Compound ID: | SB23-0622 |
| Compound Name: | 1-[rel-(3aR,7aS)-5-[(1-ethyl-1H-indol-3-yl)methyl]-7a-(3-methyl-1H-1,2,4-triazol-5-yl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-methylpropan-1-one |
| Molecular Weight: | 434.58 |
| Molecular Formula: | C25 H34 N6 O |
| Smiles: | CCn1cc(CN2CC[C@]3(CN(C[C@H]3C2)C(C(C)C)=O)c2nc(C)n[nH]2)c2ccccc12 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.886 |
| logD: | -1.5997 |
| logSw: | -2.8372 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.912 |
| InChI Key: | FZXIBPZNZOWLOA-NBGIEHNGSA-N |