{4-[1-(4-fluorophenyl)-3-methyl-6-propyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}(2-methylphenyl)methanone
Chemical Structure Depiction of
{4-[1-(4-fluorophenyl)-3-methyl-6-propyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}(2-methylphenyl)methanone
{4-[1-(4-fluorophenyl)-3-methyl-6-propyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}(2-methylphenyl)methanone
Compound characteristics
| Compound ID: | V020-2571 |
| Compound Name: | {4-[1-(4-fluorophenyl)-3-methyl-6-propyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}(2-methylphenyl)methanone |
| Molecular Weight: | 486.59 |
| Molecular Formula: | C28 H31 F N6 O |
| Salt: | not_available |
| Smiles: | CCCc1nc(c2c(C)nn(c3ccc(cc3)F)c2n1)N1CCCN(CC1)C(c1ccccc1C)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3545 |
| logD: | 4.9107 |
| logSw: | -5.3646 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 54.753 |
| InChI Key: | ALHLSMQWZWJKRS-UHFFFAOYSA-N |