cyclobutyl{4-[1-(4-fluorophenyl)-3-methyl-6-propyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}methanone
Chemical Structure Depiction of
cyclobutyl{4-[1-(4-fluorophenyl)-3-methyl-6-propyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}methanone
cyclobutyl{4-[1-(4-fluorophenyl)-3-methyl-6-propyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}methanone
Compound characteristics
| Compound ID: | V018-0393 |
| Compound Name: | cyclobutyl{4-[1-(4-fluorophenyl)-3-methyl-6-propyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}methanone |
| Molecular Weight: | 450.56 |
| Molecular Formula: | C25 H31 F N6 O |
| Smiles: | CCCc1nc(c2c(C)nn(c3ccc(cc3)F)c2n1)N1CCCN(CC1)C(C1CCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2791 |
| logD: | 3.8353 |
| logSw: | -4.4004 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 55.276 |
| InChI Key: | XAAOGSJNBNORLX-UHFFFAOYSA-N |