2-amino-4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-6-(hydroxymethyl)-8-oxo-4,8-dihydropyrano[3,2-b]pyran-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-6-(hydroxymethyl)-8-oxo-4,8-dihydropyrano[3,2-b]pyran-3-carbonitrile
2-amino-4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-6-(hydroxymethyl)-8-oxo-4,8-dihydropyrano[3,2-b]pyran-3-carbonitrile
Compound characteristics
| Compound ID: | 7954-4220 |
| Compound Name: | 2-amino-4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-6-(hydroxymethyl)-8-oxo-4,8-dihydropyrano[3,2-b]pyran-3-carbonitrile |
| Molecular Weight: | 380.33 |
| Molecular Formula: | C19 H13 F N4 O4 |
| Smiles: | C(C1=CC(C2=C(C(C(C#N)=C(N)O2)c2cn[nH]c2c2ccc(cc2)F)O1)=O)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.1262 |
| logD: | 1.1262 |
| logSw: | -1.8327 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 110.9 |
| InChI Key: | PJNMFJIMXDZFIA-OAHLLOKOSA-N |