3-(1,3-benzothiazol-2-yl)-1-{1-methyl-3-[4-(propan-2-yl)-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-(1,3-benzothiazol-2-yl)-1-{1-methyl-3-[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}propan-1-one
3-(1,3-benzothiazol-2-yl)-1-{1-methyl-3-[4-(propan-2-yl)-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: | S565-0764 |
| Compound Name: | 3-(1,3-benzothiazol-2-yl)-1-{1-methyl-3-[4-(propan-2-yl)-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: | 435.55 |
| Molecular Formula: | C22 H25 N7 O S |
| Smiles: | CC(C)n1cnnc1c1c2CN(CCc2n(C)n1)C(CCc1nc2ccccc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1161 |
| logD: | 2.0644 |
| logSw: | -2.4802 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 66.402 |
| InChI Key: | MSZIRQLVHCGAJF-UHFFFAOYSA-N |