{4-[6-benzyl-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}(2-methylphenyl)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}(2-methylphenyl)methanone
{4-[6-benzyl-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}(2-methylphenyl)methanone
Compound characteristics
| Compound ID: | V020-2627 |
| Compound Name: | {4-[6-benzyl-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}(2-methylphenyl)methanone |
| Molecular Weight: | 534.64 |
| Molecular Formula: | C32 H31 F N6 O |
| Salt: | not_available |
| Smiles: | Cc1ccccc1C(N1CCCN(CC1)c1c2c(C)nn(c3ccc(cc3)F)c2nc(Cc2ccccc2)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.8462 |
| logD: | 5.7444 |
| logSw: | -5.7708 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 54.481 |
| InChI Key: | IDWSBTZTFMOTBB-UHFFFAOYSA-N |