N-[(Z)-[1-phenyl-3-(4-phenylmethoxyphenyl)pyrazol-4-yl]methylideneamino]pyridine-4-carboxamide
Formula:C29H23N5O2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-[1-phenyl-3-(4-phenylmethoxyphenyl)pyrazol-4-yl]methylideneamino]pyridine-4-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-[1-phenyl-3-(4-phenylmethoxyphenyl)pyrazol-4-yl]methylideneamino]pyridine-4-carboxamide |
| MolecularFormula | C29H23N5O2 |
| Smiles | O=C(c1ccncc1)N/N=C\c1cn(-c2ccccc2)nc1-c(cc1)ccc1OCc1ccccc1 |
| InChI | InChI=1S/C29H23N5O2/c35-29(24-15-17-30-18-16-24)32-31-19-25-20-34(26-9-5-2-6-10-26)33-28(25)23-11-13-27(14-12-23)36-21-22-7-3-1-4-8-22/h1-20H,21H2,(H,32,35) |
| InChIK | FVLIDEBNBDJUHE-UHFFFAOYSA-N |
| TotalMolweight | 473.535 |
| Molweight | 473.535 |
| MonoisotopicMass | 473.185175 |
| CLogP | 4.4678 |
| CLogS | -5.78 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 376.75 |
| Relative PSA | 0.19859 |
| PolarSurfaceArea | 81.4 |
| Druglikeness | 5.5525 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 8 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 29 |
| Sp3Atoms | 2 |
| Symmetricatoms | 8 |
| Aromatic Nitrogens | 3 |
| StereoCon |
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