1-[rel-(3aR,7aR)-7a-(hydroxymethyl)-2-{[3-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]ethan-1-one
Chemical Structure Depiction of
1-[rel-(3aR,7aR)-7a-(hydroxymethyl)-2-{[3-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]ethan-1-one
1-[rel-(3aR,7aR)-7a-(hydroxymethyl)-2-{[3-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]ethan-1-one
Compound characteristics
| Compound ID: | S997-0360 |
| Compound Name: | 1-[rel-(3aR,7aR)-7a-(hydroxymethyl)-2-{[3-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]ethan-1-one |
| Molecular Weight: | 384.48 |
| Molecular Formula: | C21 H28 N4 O3 |
| Smiles: | CC(N1CC[C@]2(CN(Cc3c[nH]nc3c3ccc(cc3)OC)C[C@H]2C1)CO)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.0959 |
| logD: | -4.0822 |
| logSw: | -1.8994 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.102 |
| InChI Key: | IAEHSUSKXPSSJE-WIYYLYMNSA-N |