2-{4-[4-(4-fluoroanilino)-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-6-yl]piperazin-1-yl}ethan-1-ol
Chemical Structure Depiction of
2-{4-[4-(4-fluoroanilino)-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-6-yl]piperazin-1-yl}ethan-1-ol
2-{4-[4-(4-fluoroanilino)-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-6-yl]piperazin-1-yl}ethan-1-ol
Compound characteristics
Compound ID: | E781-0676 |
Compound Name: | 2-{4-[4-(4-fluoroanilino)-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-6-yl]piperazin-1-yl}ethan-1-ol |
Molecular Weight: | 371.42 |
Molecular Formula: | C18 H22 F N7 O |
Smiles: | Cn1c2c(cn1)c(Nc1ccc(cc1)F)nc(n2)N1CCN(CC1)CCO |
Stereo: | ACHIRAL |
logP: | 2.2805 |
logD: | 2.1179 |
logSw: | -2.2186 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 66.035 |
InChI Key: | OTEUKYNSKQIOSV-UHFFFAOYSA-N |