(4-{1-(4-fluorophenyl)-3-methyl-6-[(4-methylphenyl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-1,4-diazepan-1-yl)[4-(trifluoromethyl)phenyl]methanone
Chemical Structure Depiction of
(4-{1-(4-fluorophenyl)-3-methyl-6-[(4-methylphenyl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-1,4-diazepan-1-yl)[4-(trifluoromethyl)phenyl]methanone
(4-{1-(4-fluorophenyl)-3-methyl-6-[(4-methylphenyl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-1,4-diazepan-1-yl)[4-(trifluoromethyl)phenyl]methanone
Compound characteristics
| Compound ID: | V030-5985 |
| Compound Name: | (4-{1-(4-fluorophenyl)-3-methyl-6-[(4-methylphenyl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-1,4-diazepan-1-yl)[4-(trifluoromethyl)phenyl]methanone |
| Molecular Weight: | 602.64 |
| Molecular Formula: | C33 H30 F4 N6 O |
| Salt: | not_available |
| Smiles: | Cc1ccc(Cc2nc(c3c(C)nn(c4ccc(cc4)F)c3n2)N2CCCN(CC2)C(c2ccc(cc2)C(F)(F)F)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 6.7517 |
| logD: | 6.65 |
| logSw: | -5.9602 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 54.481 |
| InChI Key: | SJITYIWYXQUMGI-UHFFFAOYSA-N |