1-[rel-(3aR,7aR)-5-(1,3-dimethyl-1H-pyrazole-5-carbonyl)-7a-(3-methyl-1H-1,2,4-triazol-5-yl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]ethan-1-one
Chemical Structure Depiction of
1-[rel-(3aR,7aR)-5-(1,3-dimethyl-1H-pyrazole-5-carbonyl)-7a-(3-methyl-1H-1,2,4-triazol-5-yl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]ethan-1-one
1-[rel-(3aR,7aR)-5-(1,3-dimethyl-1H-pyrazole-5-carbonyl)-7a-(3-methyl-1H-1,2,4-triazol-5-yl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]ethan-1-one
Compound characteristics
| Compound ID: | SB23-0540 |
| Compound Name: | 1-[rel-(3aR,7aR)-5-(1,3-dimethyl-1H-pyrazole-5-carbonyl)-7a-(3-methyl-1H-1,2,4-triazol-5-yl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]ethan-1-one |
| Molecular Weight: | 371.44 |
| Molecular Formula: | C18 H25 N7 O2 |
| Smiles: | CC(N1C[C@H]2CN(CC[C@]2(C1)c1nc(C)n[nH]1)C(c1cc(C)nn1C)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | -0.5224 |
| logD: | -0.5229 |
| logSw: | -1.2128 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.889 |
| InChI Key: | ZJRMIYNEDNAORR-RDTXWAMCSA-N |