N-{2-[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]-2-oxoethyl}-N-methyl-1H-imidazole-4-sulfonamide
Chemical Structure Depiction of
N-{2-[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]-2-oxoethyl}-N-methyl-1H-imidazole-4-sulfonamide
N-{2-[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]-2-oxoethyl}-N-methyl-1H-imidazole-4-sulfonamide
Compound characteristics
| Compound ID: | S565-1530 |
| Compound Name: | N-{2-[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]-2-oxoethyl}-N-methyl-1H-imidazole-4-sulfonamide |
| Molecular Weight: | 495.56 |
| Molecular Formula: | C22 H25 N9 O3 S |
| Smiles: | CN(CC(N1CCc2c(C1)c(c1nncn1Cc1ccccc1)nn2C)=O)S(c1c[nH]cn1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | -0.4115 |
| logD: | -0.4121 |
| logSw: | -2.2367 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 109.033 |
| InChI Key: | JQYBQMFQQQYUGB-UHFFFAOYSA-N |