N-[(Z)-[4-(3-anthracen-9-yl-5-phenyl-3,4-dihydropyrazol-2-yl)phenyl]methylideneamino]pyridine-4-carboxamide
Formula:C36H27N5O
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-[4-(3-anthracen-9-yl-5-phenyl-3,4-dihydropyrazol-2-yl)phenyl]methylideneamino]pyridine-4-carboxamide is not a drug-like molecule.
| MolName | N-[(Z)-[4-(3-anthracen-9-yl-5-phenyl-3,4-dihydropyrazol-2-yl)phenyl]methylideneamino]pyridine-4-carboxamide |
| MolecularFormula | C36H27N5O |
| Smiles | O=C(c1ccncc1)N/N=C\c(cc1)ccc1N(C(C1)c2c(cccc3)c3cc3ccccc23)N=C1c1ccccc1 |
| InChI | InChI=1S/C36H27N5O/c42-36(27-18-20-37-21-19-27)39-38-24-25-14-16-30(17-15-25)41-34(23-33(40-41)26-8-2-1-3-9-26)35-31-12-6-4-10-28(31)22-29-11-5-7-13-32(29)35/h1-22,24,34H,23H2,(H,39,42)/t34-/m0/s1 |
| InChIK | WEIOXKNWUUMNTA-UMSFTDKQSA-N |
| TotalMolweight | 545.644 |
| Molweight | 545.644 |
| MonoisotopicMass | 545.22156 |
| CLogP | 8.0519 |
| CLogS | -9.071 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 420.5 |
| Relative PSA | 0.14754 |
| PolarSurfaceArea | 69.95 |
| Druglikeness | 5.8156 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.45238 |
| Fragments | 1 |
| Non HAtoms | 42 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rotatable Bond | 6 |
| Rings Closures | 7 |
| Small Rings | 7 |
| Aromatic Rings | 6 |
| Aromatic Atoms | 32 |
| Sp3Atoms | 2 |
| Symmetricatoms | 12 |
| Aromatic Nitrogens | 1 |
| StereoCon | racemate |
Click to Load Molecule:
1 - N-[(Z)-[4-(3-anthracen-9-yl-5-phenyl-3,4-dihydropyrazol-2-yl)phenyl]methylideneamino]pyridine-4-carboxamide | 2 - N-[(Z)-[4-(3-anthracen-9-yl-5-phenyl-3,4-dihydropyrazol-2-yl)phenyl]methylideneamino]pyridine-4-carboxamide
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