1-[rel-(3aR,7aR)-5-(1-ethyl-1H-pyrazole-3-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-ethyl-1H-pyrazole-3-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-ethyl-1H-pyrazole-3-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: | SB23-0530 |
| Compound Name: | 1-[rel-(3aR,7aR)-5-(1-ethyl-1H-pyrazole-3-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: | CCn1ccc(C(N2CC[C@]3(CN(C[C@H]3C2)C(C)=O)c2nc(C)n[nH]2)=O)n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | -0.2446 |
| logD: | -0.2451 |
| logSw: | -1.6655 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.952 |
| InChI Key: | CGNIWFYRQTWABJ-RDTXWAMCSA-N |