2-{4-[4-(3-chloroanilino)-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-6-yl]piperazin-1-yl}ethan-1-ol
Chemical Structure Depiction of
2-{4-[4-(3-chloroanilino)-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-6-yl]piperazin-1-yl}ethan-1-ol
2-{4-[4-(3-chloroanilino)-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-6-yl]piperazin-1-yl}ethan-1-ol
Compound characteristics
| Compound ID: | G414-0407 |
| Compound Name: | 2-{4-[4-(3-chloroanilino)-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-6-yl]piperazin-1-yl}ethan-1-ol |
| Molecular Weight: | 387.87 |
| Molecular Formula: | C18 H22 Cl N7 O |
| Smiles: | Cn1c2c(cn1)c(Nc1cccc(c1)[Cl])nc(n2)N1CCN(CC1)CCO |
| Stereo: | ACHIRAL |
| logP: | 3.005 |
| logD: | 2.8424 |
| logSw: | -3.2839 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.035 |
| InChI Key: | CAIMPXWXDBWCOH-UHFFFAOYSA-N |