1-[rel-(3aR,7aR)-2-{[3-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl}-7a-(hydroxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]ethan-1-one
Chemical Structure Depiction of
1-[rel-(3aR,7aR)-2-{[3-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl}-7a-(hydroxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]ethan-1-one
1-[rel-(3aR,7aR)-2-{[3-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl}-7a-(hydroxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]ethan-1-one
Compound characteristics
| Compound ID: | S997-1360 |
| Compound Name: | 1-[rel-(3aR,7aR)-2-{[3-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl}-7a-(hydroxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]ethan-1-one |
| Molecular Weight: | 382.5 |
| Molecular Formula: | C22 H30 N4 O2 |
| Smiles: | CC(N1CC[C@]2(CN(Cc3c[nH]nc3c3ccc(C)c(C)c3)C[C@H]2C1)CO)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.1859 |
| logD: | -2.9922 |
| logSw: | -2.5721 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.559 |
| InChI Key: | YQSFWSAXJXOABN-IFMALSPDSA-N |