N-[(Z)-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]pyridine-4-carboxamide
Formula:C22H16N5OF
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]pyridine-4-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]pyridine-4-carboxamide |
| MolecularFormula | C22H16N5OF |
| Smiles | O=C(c1ccncc1)N/N=C\c1cn(-c2ccccc2)nc1-c(cc1)ccc1F |
| InChI | InChI=1S/C22H16FN5O/c23-19-8-6-16(7-9-19)21-18(15-28(27-21)20-4-2-1-3-5-20)14-25-26-22(29)17-10-12-24-13-11-17/h1-15H,(H,26,29) |
| InChIK | NBSUCOAOXWSYGI-UHFFFAOYSA-N |
| TotalMolweight | 385.401 |
| Molweight | 385.401 |
| MonoisotopicMass | 385.133888 |
| CLogP | 3.2205 |
| CLogS | -4.753 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 299.58 |
| Relative PSA | 0.21637 |
| PolarSurfaceArea | 72.17 |
| Druglikeness | 4.5721 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.51724 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 3 |
| StereoCon |
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