[3-(dimethylamino)phenyl]{3-[5-(ethylsulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]-1-methyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}methanone
Chemical Structure Depiction of
[3-(dimethylamino)phenyl]{3-[5-(ethylsulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]-1-methyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}methanone
[3-(dimethylamino)phenyl]{3-[5-(ethylsulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]-1-methyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}methanone
Compound characteristics
| Compound ID: | L886-0005 |
| Compound Name: | [3-(dimethylamino)phenyl]{3-[5-(ethylsulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]-1-methyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}methanone |
| Molecular Weight: | 425.55 |
| Molecular Formula: | C21 H27 N7 O S |
| Smiles: | CCSc1nnc(c2c3CN(CCc3n(C)n2)C(c2cccc(c2)N(C)C)=O)n1C |
| Stereo: | ACHIRAL |
| logP: | 1.7601 |
| logD: | 1.7359 |
| logSw: | -2.5036 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 59.455 |
| InChI Key: | JVVGALNCFQSHBF-UHFFFAOYSA-N |