N-[(Z)-[1-phenyl-3-(4-phenylphenyl)pyrazol-4-yl]methylideneamino]pyridine-4-carboxamide
Formula:C28H21N5O
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-[1-phenyl-3-(4-phenylphenyl)pyrazol-4-yl]methylideneamino]pyridine-4-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-[1-phenyl-3-(4-phenylphenyl)pyrazol-4-yl]methylideneamino]pyridine-4-carboxamide |
| MolecularFormula | C28H21N5O |
| Smiles | O=C(c1ccncc1)N/N=C\c1cn(-c2ccccc2)nc1-c(cc1)ccc1-c1ccccc1 |
| InChI | InChI=1S/C28H21N5O/c34-28(24-15-17-29-18-16-24)31-30-19-25-20-33(26-9-5-2-6-10-26)32-27(25)23-13-11-22(12-14-23)21-7-3-1-4-8-21/h1-20H,(H,31,34) |
| InChIK | DTBNRCVSXJIYPK-UHFFFAOYSA-N |
| TotalMolweight | 443.509 |
| Molweight | 443.509 |
| MonoisotopicMass | 443.17461 |
| CLogP | 4.7789 |
| CLogS | -6.525 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 352.99 |
| Relative PSA | 0.18363 |
| PolarSurfaceArea | 72.17 |
| Druglikeness | 5.9121 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.52941 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 29 |
| Symmetricatoms | 8 |
| Aromatic Nitrogens | 3 |
| StereoCon |
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