4-(3-chloro-4-fluorophenyl)-N~6~-cyclopentyl-2-(4-methoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidine-3,6-diamine
Chemical Structure Depiction of
4-(3-chloro-4-fluorophenyl)-N~6~-cyclopentyl-2-(4-methoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidine-3,6-diamine
4-(3-chloro-4-fluorophenyl)-N~6~-cyclopentyl-2-(4-methoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidine-3,6-diamine
Compound characteristics
| Compound ID: | V009-1865 |
| Compound Name: | 4-(3-chloro-4-fluorophenyl)-N~6~-cyclopentyl-2-(4-methoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidine-3,6-diamine |
| Molecular Weight: | 452.92 |
| Molecular Formula: | C23 H22 Cl F N6 O |
| Salt: | not_available |
| Smiles: | COc1ccc(cc1)n1c(c2c(c3ccc(c(c3)[Cl])F)nc(NC3CCCC3)nc2n1)N |
| Stereo: | ACHIRAL |
| logP: | 5.4355 |
| logD: | 5.4353 |
| logSw: | -6.0745 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 72.446 |
| InChI Key: | CRUUMQKYZMOCGG-UHFFFAOYSA-N |