1-[rel-(3aR,7aR)-2-benzyl-7a-(5-methyl-1,3,4-oxadiazol-2-yl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-2-(3,5-dimethyl-1H-pyrazol-1-yl)ethan-1-one
Chemical Structure Depiction of
1-[rel-(3aR,7aR)-2-benzyl-7a-(5-methyl-1,3,4-oxadiazol-2-yl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-2-(3,5-dimethyl-1H-pyrazol-1-yl)ethan-1-one
1-[rel-(3aR,7aR)-2-benzyl-7a-(5-methyl-1,3,4-oxadiazol-2-yl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-2-(3,5-dimethyl-1H-pyrazol-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | SC54-0208 |
| Compound Name: | 1-[rel-(3aR,7aR)-2-benzyl-7a-(5-methyl-1,3,4-oxadiazol-2-yl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-2-(3,5-dimethyl-1H-pyrazol-1-yl)ethan-1-one |
| Molecular Weight: | 434.54 |
| Molecular Formula: | C24 H30 N6 O2 |
| Smiles: | Cc1cc(C)n(CC(N2CC[C@@]3(CN(Cc4ccccc4)C[C@@H]3C2)c2nnc(C)o2)=O)n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.9453 |
| logD: | -2.2867 |
| logSw: | -1.5762 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 63.737 |
| InChI Key: | RSLJRXHNOYORQW-XUZZJYLKSA-N |