[rel-(3aR,7aR)-3a-(fluoromethyl)-5-(methanesulfonyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl][3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methanone
Chemical Structure Depiction of
[rel-(3aR,7aR)-3a-(fluoromethyl)-5-(methanesulfonyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl][3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methanone
[rel-(3aR,7aR)-3a-(fluoromethyl)-5-(methanesulfonyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl][3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methanone
Compound characteristics
| Compound ID: | CM2408-3485 |
| Compound Name: | [rel-(3aR,7aR)-3a-(fluoromethyl)-5-(methanesulfonyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl][3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methanone |
| Molecular Weight: | 436.5 |
| Molecular Formula: | C20 H25 F N4 O4 S |
| Smiles: | COc1ccc(cc1)c1cc(C(N2C[C@@H]3CCN(C[C@@]3(C2)CF)S(C)(=O)=O)=O)[nH]n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.9431 |
| logD: | 1.9425 |
| logSw: | -2.8525 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.29 |
| InChI Key: | APKMJJXNLLOADM-YWZLYKJASA-N |