[1-methyl-3-(4-methyl-4H-1,2,4-triazol-3-yl)-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
[1-methyl-3-(4-methyl-4H-1,2,4-triazol-3-yl)-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
[1-methyl-3-(4-methyl-4H-1,2,4-triazol-3-yl)-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: | S565-1301 |
| Compound Name: | [1-methyl-3-(4-methyl-4H-1,2,4-triazol-3-yl)-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: | 494.6 |
| Molecular Formula: | C28 H30 N8 O |
| Smiles: | CC(C)c1ccc(cc1)n1c2ccc(cc2nc1C)C(N1CCc2c(C1)c(c1nncn1C)nn2C)=O |
| Stereo: | ACHIRAL |
| logP: | 2.591 |
| logD: | 2.533 |
| logSw: | -3.0432 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 67.927 |
| InChI Key: | IXMPLORDQQMILB-UHFFFAOYSA-N |