3-(4-methoxyphenyl)-1-{1-methyl-3-[4-methyl-5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}propan-1-one
Chemical Structure Depiction of
3-(4-methoxyphenyl)-1-{1-methyl-3-[4-methyl-5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}propan-1-one
3-(4-methoxyphenyl)-1-{1-methyl-3-[4-methyl-5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}propan-1-one
Compound characteristics
| Compound ID: | L886-0207 |
| Compound Name: | 3-(4-methoxyphenyl)-1-{1-methyl-3-[4-methyl-5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}propan-1-one |
| Molecular Weight: | 426.54 |
| Molecular Formula: | C21 H26 N6 O2 S |
| Smiles: | Cn1c(c2c3CN(CCc3n(C)n2)C(CCc2ccc(cc2)OC)=O)nnc1SC |
| Stereo: | ACHIRAL |
| logP: | 1.7851 |
| logD: | 1.7729 |
| logSw: | -2.3583 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 63.667 |
| InChI Key: | UNXBIHFVIOCWJA-UHFFFAOYSA-N |