1-(4-{1-(4-fluorophenyl)-3-methyl-6-[(4-methylphenyl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-1,4-diazepan-1-yl)-3,3-dimethylbutan-1-one
Chemical Structure Depiction of
1-(4-{1-(4-fluorophenyl)-3-methyl-6-[(4-methylphenyl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-1,4-diazepan-1-yl)-3,3-dimethylbutan-1-one
1-(4-{1-(4-fluorophenyl)-3-methyl-6-[(4-methylphenyl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-1,4-diazepan-1-yl)-3,3-dimethylbutan-1-one
Compound characteristics
| Compound ID: | V011-2490 |
| Compound Name: | 1-(4-{1-(4-fluorophenyl)-3-methyl-6-[(4-methylphenyl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-1,4-diazepan-1-yl)-3,3-dimethylbutan-1-one |
| Molecular Weight: | 528.67 |
| Molecular Formula: | C31 H37 F N6 O |
| Salt: | not_available |
| Smiles: | Cc1ccc(Cc2nc(c3c(C)nn(c4ccc(cc4)F)c3n2)N2CCCN(CC2)C(CC(C)(C)C)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 6.3557 |
| logD: | 6.2539 |
| logSw: | -5.8308 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 54.225 |
| InChI Key: | XBXNQDUJHMAGLB-UHFFFAOYSA-N |