2-tert-butyl-4-(3-chloro-4-fluorophenyl)-N~6~-[(pyridin-2-yl)methyl]-2H-pyrazolo[3,4-d]pyrimidine-3,6-diamine
Chemical Structure Depiction of
2-tert-butyl-4-(3-chloro-4-fluorophenyl)-N~6~-[(pyridin-2-yl)methyl]-2H-pyrazolo[3,4-d]pyrimidine-3,6-diamine
2-tert-butyl-4-(3-chloro-4-fluorophenyl)-N~6~-[(pyridin-2-yl)methyl]-2H-pyrazolo[3,4-d]pyrimidine-3,6-diamine
Compound characteristics
| Compound ID: | V001-3035 |
| Compound Name: | 2-tert-butyl-4-(3-chloro-4-fluorophenyl)-N~6~-[(pyridin-2-yl)methyl]-2H-pyrazolo[3,4-d]pyrimidine-3,6-diamine |
| Molecular Weight: | 425.89 |
| Molecular Formula: | C21 H21 Cl F N7 |
| Salt: | not_available |
| Smiles: | CC(C)(C)n1c(c2c(c3ccc(c(c3)[Cl])F)nc(NCc3ccccn3)nc2n1)N |
| Stereo: | ACHIRAL |
| logP: | 3.9271 |
| logD: | 3.8866 |
| logSw: | -4.346 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 75.321 |
| InChI Key: | XMSGLPSUPYDVEB-UHFFFAOYSA-N |