2-[(2-chloro-4-fluorophenyl)methyl]-N-[(1,3-dimethyl-1H-pyrazol-5-yl)methyl]-3-oxo-2,3,5,6,7,8-hexahydro[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
Chemical Structure Depiction of
2-[(2-chloro-4-fluorophenyl)methyl]-N-[(1,3-dimethyl-1H-pyrazol-5-yl)methyl]-3-oxo-2,3,5,6,7,8-hexahydro[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
2-[(2-chloro-4-fluorophenyl)methyl]-N-[(1,3-dimethyl-1H-pyrazol-5-yl)methyl]-3-oxo-2,3,5,6,7,8-hexahydro[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
Compound characteristics
| Compound ID: | SC27-2277 |
| Compound Name: | 2-[(2-chloro-4-fluorophenyl)methyl]-N-[(1,3-dimethyl-1H-pyrazol-5-yl)methyl]-3-oxo-2,3,5,6,7,8-hexahydro[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide |
| Molecular Weight: | 432.88 |
| Molecular Formula: | C20 H22 Cl F N6 O2 |
| Smiles: | Cc1cc(CNC(C2CCCN3C2=NN(Cc2ccc(cc2[Cl])F)C3=O)=O)n(C)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.1043 |
| logD: | 2.1043 |
| logSw: | -3.0551 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.422 |
| InChI Key: | PNGSGORKBSOWMZ-MRXNPFEDSA-N |