[3-(4-benzyl-4H-1,2,4-triazol-3-yl)-1-methyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]{5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-yl}methanone
Chemical Structure Depiction of
[3-(4-benzyl-4H-1,2,4-triazol-3-yl)-1-methyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]{5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-yl}methanone
[3-(4-benzyl-4H-1,2,4-triazol-3-yl)-1-methyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]{5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-yl}methanone
Compound characteristics
| Compound ID: | S565-1537 |
| Compound Name: | [3-(4-benzyl-4H-1,2,4-triazol-3-yl)-1-methyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]{5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-yl}methanone |
| Molecular Weight: | 497.56 |
| Molecular Formula: | C27 H27 N7 O3 |
| Smiles: | Cc1c(Cc2ccc(C(N3CCc4c(C3)c(c3nncn3Cc3ccccc3)nn4C)=O)o2)c(C)on1 |
| Stereo: | ACHIRAL |
| logP: | 2.3685 |
| logD: | 2.3679 |
| logSw: | -2.3753 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 85.259 |
| InChI Key: | KRTUBZGUNGCURC-UHFFFAOYSA-N |