N-[(Z)-[1-(2-cyanoethyl)-3-(4-phenylphenyl)pyrazol-4-yl]methylideneamino]pyridine-4-carboxamide
Formula:C25H20N6O
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-[1-(2-cyanoethyl)-3-(4-phenylphenyl)pyrazol-4-yl]methylideneamino]pyridine-4-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-[1-(2-cyanoethyl)-3-(4-phenylphenyl)pyrazol-4-yl]methylideneamino]pyridine-4-carboxamide |
| MolecularFormula | C25H20N6O |
| Smiles | N#CCCn(cc1/C=N\NC(c2ccncc2)=O)nc1-c(cc1)ccc1-c1ccccc1 |
| InChI | InChI=1S/C25H20N6O/c26-13-4-16-31-18-23(17-28-29-25(32)22-11-14-27-15-12-22)24(30-31)21-9-7-20(8-10-21)19-5-2-1-3-6-19/h1-3,5-12,14-15,17-18H,4,16H2,(H,29,32) |
| InChIK | OQBQJJFYFJOVQZ-UHFFFAOYSA-N |
| TotalMolweight | 420.475 |
| Molweight | 420.475 |
| MonoisotopicMass | 420.169859 |
| CLogP | 3.6284 |
| CLogS | -5.98 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 342.46 |
| Relative PSA | 0.22887 |
| PolarSurfaceArea | 95.96 |
| Druglikeness | -0.67436 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.5625 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 2 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 3 |
| StereoCon |
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