1-{4-[1-(2-chlorophenyl)-6-(methoxymethyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]piperazin-1-yl}-3-methylbutan-1-one
Chemical Structure Depiction of
1-{4-[1-(2-chlorophenyl)-6-(methoxymethyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]piperazin-1-yl}-3-methylbutan-1-one
1-{4-[1-(2-chlorophenyl)-6-(methoxymethyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]piperazin-1-yl}-3-methylbutan-1-one
Compound characteristics
| Compound ID: | V025-7287 |
| Compound Name: | 1-{4-[1-(2-chlorophenyl)-6-(methoxymethyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]piperazin-1-yl}-3-methylbutan-1-one |
| Molecular Weight: | 456.97 |
| Molecular Formula: | C23 H29 Cl N6 O2 |
| Salt: | not_available |
| Smiles: | CC(C)CC(N1CCN(CC1)c1c2c(C)nn(c3ccccc3[Cl])c2nc(COC)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6745 |
| logD: | 3.4351 |
| logSw: | -3.8705 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 62.289 |
| InChI Key: | JSXHLABPISHPSQ-UHFFFAOYSA-N |