N-methyl-N-{2-[1-methyl-3-(4-phenyl-4H-1,2,4-triazol-3-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]-2-oxoethyl}-1H-imidazole-4-sulfonamide
Chemical Structure Depiction of
N-methyl-N-{2-[1-methyl-3-(4-phenyl-4H-1,2,4-triazol-3-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]-2-oxoethyl}-1H-imidazole-4-sulfonamide
N-methyl-N-{2-[1-methyl-3-(4-phenyl-4H-1,2,4-triazol-3-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]-2-oxoethyl}-1H-imidazole-4-sulfonamide
Compound characteristics
| Compound ID: | S565-1566 |
| Compound Name: | N-methyl-N-{2-[1-methyl-3-(4-phenyl-4H-1,2,4-triazol-3-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]-2-oxoethyl}-1H-imidazole-4-sulfonamide |
| Molecular Weight: | 481.53 |
| Molecular Formula: | C21 H23 N9 O3 S |
| Smiles: | CN(CC(N1CCc2c(C1)c(c1nncn1c1ccccc1)nn2C)=O)S(c1c[nH]cn1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | -0.4366 |
| logD: | -0.4376 |
| logSw: | -2.219 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 109.492 |
| InChI Key: | XFJDLMATLFBCPV-UHFFFAOYSA-N |