N-[(Z)-[4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)phenyl]methylideneamino]pyridine-3-carboxamide
Formula:C28H23N5O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)phenyl]methylideneamino]pyridine-3-carboxamide is not a drug-like molecule.
| MolName | N-[(Z)-[4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)phenyl]methylideneamino]pyridine-3-carboxamide |
| MolecularFormula | C28H23N5O |
| Smiles | O=C(c1cnccc1)N/N=C\c(cc1)ccc1N(C(C1)c2ccccc2)N=C1c1ccccc1 |
| InChI | InChI=1S/C28H23N5O/c34-28(24-12-7-17-29-20-24)31-30-19-21-13-15-25(16-14-21)33-27(23-10-5-2-6-11-23)18-26(32-33)22-8-3-1-4-9-22/h1-17,19-20,27H,18H2,(H,31,34)/t27-/m0/s1 |
| InChIK | WIAWRLZVIJDWOS-MHZLTWQESA-N |
| TotalMolweight | 445.525 |
| Molweight | 445.525 |
| MonoisotopicMass | 445.19026 |
| CLogP | 5.6631 |
| CLogS | -5.859 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 351.3 |
| Relative PSA | 0.1766 |
| PolarSurfaceArea | 69.95 |
| Druglikeness | 5.8156 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.55882 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 2 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 1 |
| StereoCon | racemate |
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1 - N-[(Z)-[4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)phenyl]methylideneamino]pyridine-3-carboxamide | 2 - N-[(Z)-[4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)phenyl]methylideneamino]pyridine-3-carboxamide
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