1-[rel-(3aR,7aR)-2-benzyl-3a-(5-methyl-1,2,4-oxadiazol-3-yl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-3-(3,5-dimethyl-1H-pyrazol-1-yl)propan-1-one
Chemical Structure Depiction of
1-[rel-(3aR,7aR)-2-benzyl-3a-(5-methyl-1,2,4-oxadiazol-3-yl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-3-(3,5-dimethyl-1H-pyrazol-1-yl)propan-1-one
1-[rel-(3aR,7aR)-2-benzyl-3a-(5-methyl-1,2,4-oxadiazol-3-yl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-3-(3,5-dimethyl-1H-pyrazol-1-yl)propan-1-one
Compound characteristics
| Compound ID: | SC53-0609 |
| Compound Name: | 1-[rel-(3aR,7aR)-2-benzyl-3a-(5-methyl-1,2,4-oxadiazol-3-yl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-3-(3,5-dimethyl-1H-pyrazol-1-yl)propan-1-one |
| Molecular Weight: | 448.57 |
| Molecular Formula: | C25 H32 N6 O2 |
| Smiles: | Cc1cc(C)n(CCC(N2CC[C@H]3CN(Cc4ccccc4)C[C@]3(C2)c2nc(C)on2)=O)n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.8877 |
| logD: | -0.7202 |
| logSw: | -2.3129 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 64.877 |
| InChI Key: | HUFUJCQDFQTDBB-DHLKQENFSA-N |