N-{1-[1-(3-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-3-methyl-1H-pyrazol-5-yl}-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-{1-[1-(3-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-3-methyl-1H-pyrazol-5-yl}-2H-1,3-benzodioxole-5-carboxamide
N-{1-[1-(3-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-3-methyl-1H-pyrazol-5-yl}-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | F614-0233 |
| Compound Name: | N-{1-[1-(3-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-3-methyl-1H-pyrazol-5-yl}-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 473.88 |
| Molecular Formula: | C23 H16 Cl N7 O3 |
| Smiles: | Cc1cc(NC(c2ccc3c(c2)OCO3)=O)n(c2c3cnn(c4cccc(c4)[Cl])c3ncn2)n1 |
| Stereo: | ACHIRAL |
| logP: | 4.354 |
| logD: | 4.352 |
| logSw: | -4.4358 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.856 |
| InChI Key: | JFERFLQSKCQGJA-UHFFFAOYSA-N |