2-[(2,5-dimethylphenyl)methyl]-8-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one
Chemical Structure Depiction of
2-[(2,5-dimethylphenyl)methyl]-8-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one
2-[(2,5-dimethylphenyl)methyl]-8-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one
Compound characteristics
| Compound ID: | SC27-2097 |
| Compound Name: | 2-[(2,5-dimethylphenyl)methyl]-8-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one |
| Molecular Weight: | 447.54 |
| Molecular Formula: | C24 H29 N7 O2 |
| Smiles: | Cc1ccc(C)c(CN2C(N3CCCC(C3=N2)C(N2CCN(CC2)c2ncccn2)=O)=O)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.546 |
| logD: | 3.546 |
| logSw: | -3.3852 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 70.476 |
| InChI Key: | NDSAONBTCJGFPZ-HXUWFJFHSA-N |