(4-{1-(4-fluorophenyl)-3-methyl-6-[(4-methylphenyl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-1,4-diazepan-1-yl)[(2RS)-2-phenylcyclopropyl]methanone
Chemical Structure Depiction of
(4-{1-(4-fluorophenyl)-3-methyl-6-[(4-methylphenyl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-1,4-diazepan-1-yl)[(2RS)-2-phenylcyclopropyl]methanone
(4-{1-(4-fluorophenyl)-3-methyl-6-[(4-methylphenyl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-1,4-diazepan-1-yl)[(2RS)-2-phenylcyclopropyl]methanone
Compound characteristics
| Compound ID: | V030-6041 |
| Compound Name: | (4-{1-(4-fluorophenyl)-3-methyl-6-[(4-methylphenyl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-1,4-diazepan-1-yl)[(2RS)-2-phenylcyclopropyl]methanone |
| Molecular Weight: | 574.7 |
| Molecular Formula: | C35 H35 F N6 O |
| Salt: | not_available |
| Smiles: | Cc1ccc(Cc2nc(c3c(C)nn(c4ccc(cc4)F)c3n2)N2CCCN(CC2)C(C2C[C@H]2c2ccccc2)=O)cc1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.7587 |
| logD: | 6.6569 |
| logSw: | -5.968 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 54.733 |
| InChI Key: | MIHMSVQSAZFDTH-UFXYQILXSA-N |