2-methoxy-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}ethan-1-one
Chemical Structure Depiction of
2-methoxy-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}ethan-1-one
2-methoxy-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}ethan-1-one
Compound characteristics
| Compound ID: | L886-0241 |
| Compound Name: | 2-methoxy-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}ethan-1-one |
| Molecular Weight: | 336.41 |
| Molecular Formula: | C14 H20 N6 O2 S |
| Smiles: | Cn1c(c2c3CN(CCc3n(C)n2)C(COC)=O)nnc1SC |
| Stereo: | ACHIRAL |
| logP: | -0.62 |
| logD: | -0.6322 |
| logSw: | -0.5789 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 64.818 |
| InChI Key: | PKLJREPYPHPBEN-UHFFFAOYSA-N |