7-[(E)-2-(4-fluorophenyl)ethenyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile
Formula:C15H9N4F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
7-[(E)-2-(4-fluorophenyl)ethenyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile is a drug-like molecule.
| MolName | 7-[(E)-2-(4-fluorophenyl)ethenyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile |
| MolecularFormula | C15H9N4F |
| Smiles | N#Cc1c2nccc(/C=C/c(cc3)ccc3F)n2nc1 |
| InChI | InChI=1S/C15H9FN4/c16-13-4-1-11(2-5-13)3-6-14-7-8-18-15-12(9-17)10-19-20(14)15/h1-8,10H |
| InChIK | AZCRNKPOXGYYPZ-UHFFFAOYSA-N |
| TotalMolweight | 264.262 |
| Molweight | 264.262 |
| MonoisotopicMass | 264.081124 |
| CLogP | 1.7597 |
| CLogS | -4.685 |
| H Acceptors | 4 |
| TotalSurfaceArea | 210.35 |
| Relative PSA | 0.20656 |
| PolarSurfaceArea | 53.98 |
| Druglikeness | -1.7908 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.65 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 3 |
| BasicNitrogens | 1 |
| StereoCon |
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