{4-[3-amino-4-(2H-1,3-benzodioxol-5-yl)-2-(4-chlorophenyl)-2H-pyrazolo[3,4-d]pyrimidin-6-yl]piperazin-1-yl}(oxolan-2-yl)methanone
Chemical Structure Depiction of
{4-[3-amino-4-(2H-1,3-benzodioxol-5-yl)-2-(4-chlorophenyl)-2H-pyrazolo[3,4-d]pyrimidin-6-yl]piperazin-1-yl}(oxolan-2-yl)methanone
{4-[3-amino-4-(2H-1,3-benzodioxol-5-yl)-2-(4-chlorophenyl)-2H-pyrazolo[3,4-d]pyrimidin-6-yl]piperazin-1-yl}(oxolan-2-yl)methanone
Compound characteristics
| Compound ID: | V020-3162 |
| Compound Name: | {4-[3-amino-4-(2H-1,3-benzodioxol-5-yl)-2-(4-chlorophenyl)-2H-pyrazolo[3,4-d]pyrimidin-6-yl]piperazin-1-yl}(oxolan-2-yl)methanone |
| Molecular Weight: | 548 |
| Molecular Formula: | C27 H26 Cl N7 O4 |
| Salt: | not_available |
| Smiles: | C1CC(C(N2CCN(CC2)c2nc(c3ccc4c(c3)OCO4)c3c(n2)nn(c2ccc(cc2)[Cl])c3N)=O)OC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9725 |
| logD: | 3.9715 |
| logSw: | -4.6424 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 97.805 |
| InChI Key: | HUPZNCCIIDKQOO-FQEVSTJZSA-N |