1-[rel-(3aR,7aR)-2-{[3-(4-fluorophenyl)-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-(4-fluorophenyl)-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-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl}-7a-(hydroxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]ethan-1-one
Compound characteristics
| Compound ID: | S997-1355 |
| Compound Name: | 1-[rel-(3aR,7aR)-2-{[3-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl}-7a-(hydroxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]ethan-1-one |
| Molecular Weight: | 372.44 |
| Molecular Formula: | C20 H25 F N4 O2 |
| Smiles: | CC(N1CC[C@]2(CN(Cc3c[nH]nc3c3ccc(cc3)F)C[C@H]2C1)CO)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.1425 |
| logD: | -4.0355 |
| logSw: | -1.9149 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.559 |
| InChI Key: | UPSYVAMAEZSFOH-FXAWDEMLSA-N |