1-{4-[1-(4-fluorophenyl)-3-methyl-6-propyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}pentan-1-one
Chemical Structure Depiction of
1-{4-[1-(4-fluorophenyl)-3-methyl-6-propyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}pentan-1-one
1-{4-[1-(4-fluorophenyl)-3-methyl-6-propyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}pentan-1-one
Compound characteristics
Compound ID: | V014-3204 |
Compound Name: | 1-{4-[1-(4-fluorophenyl)-3-methyl-6-propyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}pentan-1-one |
Molecular Weight: | 452.57 |
Molecular Formula: | C25 H33 F N6 O |
Smiles: | CCCCC(N1CCCN(CC1)c1c2c(C)nn(c3ccc(cc3)F)c2nc(CCC)n1)=O |
Stereo: | ACHIRAL |
logP: | 4.9771 |
logD: | 4.5333 |
logSw: | -4.8428 |
Hydrogen bond acceptors count: | 5 |
Polar surface area: | 54.497 |
InChI Key: | XKSNTHTVERWONI-UHFFFAOYSA-N |