2-(4-fluorophenyl)-1-(4-{3-methyl-6-[(4-methylphenyl)methyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-1,4-diazepan-1-yl)ethan-1-one
Chemical Structure Depiction of
2-(4-fluorophenyl)-1-(4-{3-methyl-6-[(4-methylphenyl)methyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-1,4-diazepan-1-yl)ethan-1-one
2-(4-fluorophenyl)-1-(4-{3-methyl-6-[(4-methylphenyl)methyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-1,4-diazepan-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | V018-7890 |
| Compound Name: | 2-(4-fluorophenyl)-1-(4-{3-methyl-6-[(4-methylphenyl)methyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-1,4-diazepan-1-yl)ethan-1-one |
| Molecular Weight: | 548.66 |
| Molecular Formula: | C33 H33 F N6 O |
| Salt: | not_available |
| Smiles: | Cc1ccc(Cc2nc(c3c(C)nn(c4ccccc4)c3n2)N2CCCN(CC2)C(Cc2ccc(cc2)F)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 6.0367 |
| logD: | 5.935 |
| logSw: | -5.7523 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 53.954 |
| InChI Key: | QFSIYLXQIHKPTF-UHFFFAOYSA-N |