4-(3-chloro-4-fluorophenyl)-N~6~-cyclopropyl-2-(4-methoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidine-3,6-diamine
Chemical Structure Depiction of
4-(3-chloro-4-fluorophenyl)-N~6~-cyclopropyl-2-(4-methoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidine-3,6-diamine
4-(3-chloro-4-fluorophenyl)-N~6~-cyclopropyl-2-(4-methoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidine-3,6-diamine
Compound characteristics
Compound ID: | V009-1829 |
Compound Name: | 4-(3-chloro-4-fluorophenyl)-N~6~-cyclopropyl-2-(4-methoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidine-3,6-diamine |
Molecular Weight: | 424.86 |
Molecular Formula: | C21 H18 Cl F N6 O |
Salt: | not_available |
Smiles: | COc1ccc(cc1)n1c(c2c(c3ccc(c(c3)[Cl])F)nc(NC3CC3)nc2n1)N |
Stereo: | ACHIRAL |
logP: | 4.4981 |
logD: | 4.4978 |
logSw: | -4.7493 |
Hydrogen bond acceptors count: | 4 |
Hydrogen bond donors count: | 3 |
Polar surface area: | 72.411 |
InChI Key: | JHPBNFYFEPLYJK-UHFFFAOYSA-N |