4-butyl-N-{1-[1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-3-methyl-1H-pyrazol-5-yl}cyclohexane-1-carboxamide
Chemical Structure Depiction of
4-butyl-N-{1-[1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-3-methyl-1H-pyrazol-5-yl}cyclohexane-1-carboxamide
4-butyl-N-{1-[1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-3-methyl-1H-pyrazol-5-yl}cyclohexane-1-carboxamide
Compound characteristics
| Compound ID: | F614-0107 |
| Compound Name: | 4-butyl-N-{1-[1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-3-methyl-1H-pyrazol-5-yl}cyclohexane-1-carboxamide |
| Molecular Weight: | 492.02 |
| Molecular Formula: | C26 H30 Cl N7 O |
| Smiles: | CCCCC1CCC(CC1)C(Nc1cc(C)nn1c1c2cnn(c3ccc(cc3)[Cl])c2ncn1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.3433 |
| logD: | 6.3408 |
| logSw: | -6.171 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.933 |
| InChI Key: | SMVDLWMMLKEDDT-UHFFFAOYSA-N |