[3-(4-ethyl-4H-1,2,4-triazol-3-yl)-1-methyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]{2-methyl-1-[4-(propan-2-yl)phenyl]-1H-benzimidazol-5-yl}methanone
Chemical Structure Depiction of
[3-(4-ethyl-4H-1,2,4-triazol-3-yl)-1-methyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]{2-methyl-1-[4-(propan-2-yl)phenyl]-1H-benzimidazol-5-yl}methanone
[3-(4-ethyl-4H-1,2,4-triazol-3-yl)-1-methyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]{2-methyl-1-[4-(propan-2-yl)phenyl]-1H-benzimidazol-5-yl}methanone
Compound characteristics
| Compound ID: | S565-1382 |
| Compound Name: | [3-(4-ethyl-4H-1,2,4-triazol-3-yl)-1-methyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]{2-methyl-1-[4-(propan-2-yl)phenyl]-1H-benzimidazol-5-yl}methanone |
| Molecular Weight: | 508.63 |
| Molecular Formula: | C29 H32 N8 O |
| Smiles: | CCn1cnnc1c1c2CN(CCc2n(C)n1)C(c1ccc2c(c1)nc(C)n2c1ccc(cc1)C(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9047 |
| logD: | 2.8466 |
| logSw: | -3.2379 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 67.096 |
| InChI Key: | AIVYYDJYKJCMET-UHFFFAOYSA-N |