4-{1-(4-fluorophenyl)-3-methyl-6-[(4-methylphenyl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-N,N-dimethyl-1,4-diazepane-1-carboxamide
Chemical Structure Depiction of
4-{1-(4-fluorophenyl)-3-methyl-6-[(4-methylphenyl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-N,N-dimethyl-1,4-diazepane-1-carboxamide
4-{1-(4-fluorophenyl)-3-methyl-6-[(4-methylphenyl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-N,N-dimethyl-1,4-diazepane-1-carboxamide
Compound characteristics
| Compound ID: | V019-7059 |
| Compound Name: | 4-{1-(4-fluorophenyl)-3-methyl-6-[(4-methylphenyl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-N,N-dimethyl-1,4-diazepane-1-carboxamide |
| Molecular Weight: | 501.61 |
| Molecular Formula: | C28 H32 F N7 O |
| Salt: | not_available |
| Smiles: | Cc1ccc(Cc2nc(c3c(C)nn(c4ccc(cc4)F)c3n2)N2CCCN(CC2)C(N(C)C)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.9789 |
| logD: | 4.8772 |
| logSw: | -4.8664 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 55.639 |
| InChI Key: | PORNPQWEMXIMNY-UHFFFAOYSA-N |