N-butyl-4-[6-(cyclohexylmethyl)-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepane-1-carboxamide
Chemical Structure Depiction of
N-butyl-4-[6-(cyclohexylmethyl)-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepane-1-carboxamide
N-butyl-4-[6-(cyclohexylmethyl)-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepane-1-carboxamide
Compound characteristics
| Compound ID: | V030-5147 |
| Compound Name: | N-butyl-4-[6-(cyclohexylmethyl)-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepane-1-carboxamide |
| Molecular Weight: | 521.68 |
| Molecular Formula: | C29 H40 F N7 O |
| Salt: | not_available |
| Smiles: | CCCCNC(N1CCCN(CC1)c1c2c(C)nn(c3ccc(cc3)F)c2nc(CC2CCCCC2)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.6079 |
| logD: | 5.9174 |
| logSw: | -6.0003 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.929 |
| InChI Key: | JNNOBWJVJQYZEU-UHFFFAOYSA-N |