1-{4-[6-benzyl-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}pentan-1-one
Chemical Structure Depiction of
1-{4-[6-benzyl-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}pentan-1-one
1-{4-[6-benzyl-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}pentan-1-one
Compound characteristics
Compound ID: | V010-9018 |
Compound Name: | 1-{4-[6-benzyl-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}pentan-1-one |
Molecular Weight: | 500.62 |
Molecular Formula: | C29 H33 F N6 O |
Salt: | not_available |
Smiles: | CCCCC(N1CCCN(CC1)c1c2c(C)nn(c3ccc(cc3)F)c2nc(Cc2ccccc2)n1)=O |
Stereo: | ACHIRAL |
logP: | 5.4688 |
logD: | 5.3671 |
logSw: | -5.4 |
Hydrogen bond acceptors count: | 5 |
Polar surface area: | 54.225 |
InChI Key: | AHMPGYMOBWLMOP-UHFFFAOYSA-N |