2-[(Z)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]isoindole-1,3-dione
Formula:C23H15N5O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(Z)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]isoindole-1,3-dione is a drug-like molecule.
| MolName | 2-[(Z)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]isoindole-1,3-dione |
| MolecularFormula | C23H15N5O2 |
| Smiles | O=C(c(cccc1)c1C1=O)N1/N=C\c1cn(-c2ccccc2)nc1-c1cnccc1 |
| InChI | InChI=1S/C23H15N5O2/c29-22-19-10-4-5-11-20(19)23(30)28(22)25-14-17-15-27(18-8-2-1-3-9-18)26-21(17)16-7-6-12-24-13-16/h1-15H |
| InChIK | UFIRJNUIGCQXEY-UHFFFAOYSA-N |
| TotalMolweight | 393.405 |
| Molweight | 393.405 |
| MonoisotopicMass | 393.122575 |
| CLogP | 2.5698 |
| CLogS | -4.3 |
| H Acceptors | 7 |
| TotalSurfaceArea | 296.32 |
| Relative PSA | 0.23606 |
| PolarSurfaceArea | 80.45 |
| Druglikeness | 4.3419 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.46667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Symmetricatoms | 7 |
| Aromatic Nitrogens | 3 |
| StereoCon |
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1 - 2-[(Z)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]isoindole-1,3-dione | 2 - 2-[(Z)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]isoindole-1,3-dione
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