{4-[(4-benzyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}{6-[(2-chlorophenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl}methanone
Chemical Structure Depiction of
{4-[(4-benzyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}{6-[(2-chlorophenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl}methanone
{4-[(4-benzyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}{6-[(2-chlorophenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl}methanone
Compound characteristics
| Compound ID: | S517-1542 |
| Compound Name: | {4-[(4-benzyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}{6-[(2-chlorophenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl}methanone |
| Molecular Weight: | 554.09 |
| Molecular Formula: | C31 H32 Cl N7 O |
| Smiles: | Cc1c(Cc2ccccc2[Cl])c(C)n2c(c(cn2)C(N2CCC(CC2)Cc2nncn2Cc2ccccc2)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 4.84 |
| logD: | 4.8399 |
| logSw: | -4.8221 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 62.2 |
| InChI Key: | TWOSJBIKTDAHJA-UHFFFAOYSA-N |