rel-(3aR,7aS)-5-(1,3-dimethyl-1H-pyrazole-4-carbonyl)-7a-(5-methyl-1,3,4-oxadiazol-2-yl)-N-propyloctahydro-2H-pyrrolo[3,4-c]pyridine-2-carboxamide
Chemical Structure Depiction of
rel-(3aR,7aS)-5-(1,3-dimethyl-1H-pyrazole-4-carbonyl)-7a-(5-methyl-1,3,4-oxadiazol-2-yl)-N-propyloctahydro-2H-pyrrolo[3,4-c]pyridine-2-carboxamide
rel-(3aR,7aS)-5-(1,3-dimethyl-1H-pyrazole-4-carbonyl)-7a-(5-methyl-1,3,4-oxadiazol-2-yl)-N-propyloctahydro-2H-pyrrolo[3,4-c]pyridine-2-carboxamide
Compound characteristics
| Compound ID: | SC54-0428 |
| Compound Name: | rel-(3aR,7aS)-5-(1,3-dimethyl-1H-pyrazole-4-carbonyl)-7a-(5-methyl-1,3,4-oxadiazol-2-yl)-N-propyloctahydro-2H-pyrrolo[3,4-c]pyridine-2-carboxamide |
| Molecular Weight: | 415.49 |
| Molecular Formula: | C20 H29 N7 O3 |
| Smiles: | CCCNC(N1C[C@@H]2CN(CC[C@@]2(C1)c1nnc(C)o1)C(c1cn(C)nc1C)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.182 |
| logD: | 0.182 |
| logSw: | -1.5682 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.591 |
| InChI Key: | DAINPWHTFOBSPZ-MGPUTAFESA-N |