4-{[6-(4-fluoroanilino)[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl]amino}-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
4-{[6-(4-fluoroanilino)[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl]amino}-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
4-{[6-(4-fluoroanilino)[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl]amino}-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 8007-2441 |
| Compound Name: | 4-{[6-(4-fluoroanilino)[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl]amino}-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 432.42 |
| Molecular Formula: | C21 H17 F N8 O2 |
| Smiles: | CC1=C(C(N(c2ccccc2)N1C)=O)Nc1c(Nc2ccc(cc2)F)nc2c(n1)non2 |
| Stereo: | ACHIRAL |
| logP: | 3.1556 |
| logD: | 2.2206 |
| logSw: | -3.4117 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 94.927 |
| InChI Key: | PJFHNKKDSNQTPS-UHFFFAOYSA-N |