N-{1-[1-(4-fluorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-3-methyl-1H-pyrazol-5-yl}-2-oxo-2H-1-benzopyran-3-carboxamide
Chemical Structure Depiction of
N-{1-[1-(4-fluorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-3-methyl-1H-pyrazol-5-yl}-2-oxo-2H-1-benzopyran-3-carboxamide
N-{1-[1-(4-fluorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-3-methyl-1H-pyrazol-5-yl}-2-oxo-2H-1-benzopyran-3-carboxamide
Compound characteristics
| Compound ID: | F614-0364 |
| Compound Name: | N-{1-[1-(4-fluorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-3-methyl-1H-pyrazol-5-yl}-2-oxo-2H-1-benzopyran-3-carboxamide |
| Molecular Weight: | 481.44 |
| Molecular Formula: | C25 H16 F N7 O3 |
| Smiles: | Cc1cc(NC(C2=Cc3ccccc3OC2=O)=O)n(c2c3cnn(c4ccc(cc4)F)c3ncn2)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.683 |
| logD: | 3.4473 |
| logSw: | -3.9853 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.663 |
| InChI Key: | XOMFBDSZARUNOB-UHFFFAOYSA-N |