N-(3-cyanophenyl)-4-(3-methyl-1-phenyl-6-propyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepane-1-carboxamide
Chemical Structure Depiction of
N-(3-cyanophenyl)-4-(3-methyl-1-phenyl-6-propyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepane-1-carboxamide
N-(3-cyanophenyl)-4-(3-methyl-1-phenyl-6-propyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepane-1-carboxamide
Compound characteristics
| Compound ID: | V006-2975 |
| Compound Name: | N-(3-cyanophenyl)-4-(3-methyl-1-phenyl-6-propyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepane-1-carboxamide |
| Molecular Weight: | 494.6 |
| Molecular Formula: | C28 H30 N8 O |
| Smiles: | CCCc1nc(c2c(C)nn(c3ccccc3)c2n1)N1CCCN(CC1)C(Nc1cccc(C#N)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0346 |
| logD: | 4.5908 |
| logSw: | -4.8881 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.63 |
| InChI Key: | VFXMYLYECPEMOP-UHFFFAOYSA-N |