4-[6-butyl-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-N,N-dimethyl-1,4-diazepane-1-carboxamide
Chemical Structure Depiction of
4-[6-butyl-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-N,N-dimethyl-1,4-diazepane-1-carboxamide
4-[6-butyl-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-N,N-dimethyl-1,4-diazepane-1-carboxamide
Compound characteristics
| Compound ID: | V030-5983 |
| Compound Name: | 4-[6-butyl-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-N,N-dimethyl-1,4-diazepane-1-carboxamide |
| Molecular Weight: | 453.56 |
| Molecular Formula: | C24 H32 F N7 O |
| Salt: | not_available |
| Smiles: | CCCCc1nc(c2c(C)nn(c3ccc(cc3)F)c2n1)N1CCCN(CC1)C(N(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4531 |
| logD: | 3.9073 |
| logSw: | -4.4953 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 55.911 |
| InChI Key: | HGDSGYHYMFBHCK-UHFFFAOYSA-N |