{4-[6-benzyl-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}(cyclobutyl)methanone
Chemical Structure Depiction of
{4-[6-benzyl-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}(cyclobutyl)methanone
{4-[6-benzyl-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}(cyclobutyl)methanone
Compound characteristics
Compound ID: | V011-0429 |
Compound Name: | {4-[6-benzyl-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}(cyclobutyl)methanone |
Molecular Weight: | 498.6 |
Molecular Formula: | C29 H31 F N6 O |
Salt: | not_available |
Smiles: | Cc1c2c(nc(Cc3ccccc3)nc2n(c2ccc(cc2)F)n1)N1CCCN(CC1)C(C1CCC1)=O |
Stereo: | ACHIRAL |
logP: | 4.7708 |
logD: | 4.669 |
logSw: | -4.7554 |
Hydrogen bond acceptors count: | 5 |
Polar surface area: | 55.004 |
InChI Key: | PEUGQGGPPHTPFC-UHFFFAOYSA-N |