1-[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]-3-(3-chloro-1,2-oxazol-5-yl)propan-1-one
Chemical Structure Depiction of
1-[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]-3-(3-chloro-1,2-oxazol-5-yl)propan-1-one
1-[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]-3-(3-chloro-1,2-oxazol-5-yl)propan-1-one
Compound characteristics
| Compound ID: | S565-1553 |
| Compound Name: | 1-[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]-3-(3-chloro-1,2-oxazol-5-yl)propan-1-one |
| Molecular Weight: | 451.91 |
| Molecular Formula: | C22 H22 Cl N7 O2 |
| Smiles: | Cn1c2CCN(Cc2c(c2nncn2Cc2ccccc2)n1)C(CCc1cc(no1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 1.5778 |
| logD: | 1.5772 |
| logSw: | -2.3837 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 75.968 |
| InChI Key: | ZDHVFKDBFAQRBS-UHFFFAOYSA-N |