2-(4-fluorophenyl)-1-[4-(3-methyl-1-phenyl-6-propyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]ethan-1-one
Chemical Structure Depiction of
2-(4-fluorophenyl)-1-[4-(3-methyl-1-phenyl-6-propyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]ethan-1-one
2-(4-fluorophenyl)-1-[4-(3-methyl-1-phenyl-6-propyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]ethan-1-one
Compound characteristics
| Compound ID: | V009-2170 |
| Compound Name: | 2-(4-fluorophenyl)-1-[4-(3-methyl-1-phenyl-6-propyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]ethan-1-one |
| Molecular Weight: | 486.59 |
| Molecular Formula: | C28 H31 F N6 O |
| Salt: | not_available |
| Smiles: | CCCc1nc(c2c(C)nn(c3ccccc3)c2n1)N1CCCN(CC1)C(Cc1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1217 |
| logD: | 4.6779 |
| logSw: | -5.0855 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 54.225 |
| InChI Key: | VLNURWBQIPVTPD-UHFFFAOYSA-N |