1-(4-{1-(4-fluorophenyl)-3-methyl-6-[(4-methylphenyl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-1,4-diazepan-1-yl)heptan-1-one
Chemical Structure Depiction of
1-(4-{1-(4-fluorophenyl)-3-methyl-6-[(4-methylphenyl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-1,4-diazepan-1-yl)heptan-1-one
1-(4-{1-(4-fluorophenyl)-3-methyl-6-[(4-methylphenyl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-1,4-diazepan-1-yl)heptan-1-one
Compound characteristics
| Compound ID: | V011-3186 |
| Compound Name: | 1-(4-{1-(4-fluorophenyl)-3-methyl-6-[(4-methylphenyl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-1,4-diazepan-1-yl)heptan-1-one |
| Molecular Weight: | 542.7 |
| Molecular Formula: | C32 H39 F N6 O |
| Salt: | not_available |
| Smiles: | CCCCCCC(N1CCCN(CC1)c1c2c(C)nn(c3ccc(cc3)F)c2nc(Cc2ccc(C)cc2)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.9426 |
| logD: | 6.8408 |
| logSw: | -5.8872 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 54.225 |
| InChI Key: | PXRVQYCUUZBTBC-UHFFFAOYSA-N |