rel-(3aR,7aR)-2-(1-ethyl-1H-pyrazole-5-carbonyl)octahydro-6H-pyrrolo[3,4-c]pyridin-6-one
Chemical Structure Depiction of
rel-(3aR,7aR)-2-(1-ethyl-1H-pyrazole-5-carbonyl)octahydro-6H-pyrrolo[3,4-c]pyridin-6-one
rel-(3aR,7aR)-2-(1-ethyl-1H-pyrazole-5-carbonyl)octahydro-6H-pyrrolo[3,4-c]pyridin-6-one
Compound characteristics
| Compound ID: | SB76-0545 |
| Compound Name: | rel-(3aR,7aR)-2-(1-ethyl-1H-pyrazole-5-carbonyl)octahydro-6H-pyrrolo[3,4-c]pyridin-6-one |
| Molecular Weight: | 262.31 |
| Molecular Formula: | C13 H18 N4 O2 |
| Smiles: | [H][C@]12CC(NC[C@]2([H])CN(C1)C(c1ccnn1CC)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | -0.7418 |
| logD: | -0.7418 |
| logSw: | -1.6477 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.084 |
| InChI Key: | QBOVYNSVMBMWEG-ZJUUUORDSA-N |