1-[rel-(3aR,7aS)-2-[5-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)-1,2-oxazole-3-carbonyl]-7a-(hydroxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]ethan-1-one
Chemical Structure Depiction of
1-[rel-(3aR,7aS)-2-[5-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)-1,2-oxazole-3-carbonyl]-7a-(hydroxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]ethan-1-one
1-[rel-(3aR,7aS)-2-[5-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)-1,2-oxazole-3-carbonyl]-7a-(hydroxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]ethan-1-one
Compound characteristics
| Compound ID: | S997-0384 |
| Compound Name: | 1-[rel-(3aR,7aS)-2-[5-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)-1,2-oxazole-3-carbonyl]-7a-(hydroxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]ethan-1-one |
| Molecular Weight: | 415.49 |
| Molecular Formula: | C21 H29 N5 O4 |
| Smiles: | CCn1c(C)c(c(C)n1)c1cc(C(N2C[C@H]3CN(CC[C@]3(C2)CO)C(C)=O)=O)no1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.1063 |
| logD: | 0.1063 |
| logSw: | -0.674 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.098 |
| InChI Key: | CIXLDLZVQJMHSN-IIBYNOLFSA-N |