N-[(Z)-[4-(3-naphthalen-1-yl-5-phenyl-3,4-dihydropyrazol-2-yl)phenyl]methylideneamino]pyridine-4-carboxamide
Formula:C32H25N5O
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-[4-(3-naphthalen-1-yl-5-phenyl-3,4-dihydropyrazol-2-yl)phenyl]methylideneamino]pyridine-4-carboxamide is not a drug-like molecule.
| MolName | N-[(Z)-[4-(3-naphthalen-1-yl-5-phenyl-3,4-dihydropyrazol-2-yl)phenyl]methylideneamino]pyridine-4-carboxamide |
| MolecularFormula | C32H25N5O |
| Smiles | O=C(c1ccncc1)N/N=C\c(cc1)ccc1N(C(C1)c2cccc3ccccc23)N=C1c1ccccc1 |
| InChI | InChI=1S/C32H25N5O/c38-32(26-17-19-33-20-18-26)35-34-22-23-13-15-27(16-14-23)37-31(21-30(36-37)25-8-2-1-3-9-25)29-12-6-10-24-7-4-5-11-28(24)29/h1-20,22,31H,21H2,(H,35,38)/t31-/m0/s1 |
| InChIK | KFOBGESELLTWPC-HKBQPEDESA-N |
| TotalMolweight | 495.585 |
| Molweight | 495.585 |
| MonoisotopicMass | 495.20591 |
| CLogP | 6.8575 |
| CLogS | -7.465 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 385.9 |
| Relative PSA | 0.16077 |
| PolarSurfaceArea | 69.95 |
| Druglikeness | 5.8156 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 38 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rotatable Bond | 6 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 28 |
| Sp3Atoms | 2 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 1 |
| StereoCon | racemate |
Click to Load Molecule:
1 - N-[(Z)-[4-(3-naphthalen-1-yl-5-phenyl-3,4-dihydropyrazol-2-yl)phenyl]methylideneamino]pyridine-4-carboxamide | 2 - N-[(Z)-[4-(3-naphthalen-1-yl-5-phenyl-3,4-dihydropyrazol-2-yl)phenyl]methylideneamino]pyridine-4-carboxamide
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