{4-[3,6-dimethyl-1-(2-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}(3-fluorophenyl)methanone
Chemical Structure Depiction of
{4-[3,6-dimethyl-1-(2-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}(3-fluorophenyl)methanone
{4-[3,6-dimethyl-1-(2-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}(3-fluorophenyl)methanone
Compound characteristics
| Compound ID: | V024-5332 |
| Compound Name: | {4-[3,6-dimethyl-1-(2-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}(3-fluorophenyl)methanone |
| Molecular Weight: | 458.54 |
| Molecular Formula: | C26 H27 F N6 O |
| Salt: | not_available |
| Smiles: | Cc1ccccc1n1c2c(c(C)n1)c(nc(C)n2)N1CCCN(CC1)C(c1cccc(c1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2443 |
| logD: | 3.6318 |
| logSw: | -4.5068 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 53.074 |
| InChI Key: | LXBPCTUNTJCGIB-UHFFFAOYSA-N |