4-amino-3,5,6-trichloro-N-[(Z)-(1,3-diphenylpyrazol-4-yl)methylideneamino]pyridine-2-carboxamide
Formula:C22H15N6OCl3
Mutagenic:high
Tumorigenic:none
Reproductive Effective:low
4-amino-3,5,6-trichloro-N-[(Z)-(1,3-diphenylpyrazol-4-yl)methylideneamino]pyridine-2-carboxamide is a drug-like molecule.
| MolName | 4-amino-3,5,6-trichloro-N-[(Z)-(1,3-diphenylpyrazol-4-yl)methylideneamino]pyridine-2-carboxamide |
| MolecularFormula | C22H15N6OCl3 |
| Smiles | Nc(c(Cl)c(C(N/N=C\c1cn(-c2ccccc2)nc1-c1ccccc1)=O)nc1Cl)c1Cl |
| InChI | InChI=1S/C22H15Cl3N6O/c23-16-18(26)17(24)21(25)28-20(16)22(32)29-27-11-14-12-31(15-9-5-2-6-10-15)30-19(14)13-7-3-1-4-8-13/h1-12H,(H2,26,28)(H,29,32) |
| InChIK | KAGIUTGXWUBYLR-UHFFFAOYSA-N |
| TotalMolweight | 485.761 |
| Molweight | 485.761 |
| MonoisotopicMass | 484.03729 |
| CLogP | 4.4118 |
| CLogS | -6.51 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 348.01 |
| Relative PSA | 0.23014 |
| PolarSurfaceArea | 98.19 |
| Druglikeness | 5.871 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | low |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; polyhalo aromatic ring |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Amines | 1 |
| Aromatic Amines | 1 |
| Aromatic Nitrogens | 3 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 4-amino-3,5,6-trichloro-N-[(Z)-(1,3-diphenylpyrazol-4-yl)methylideneamino]pyridine-2-carboxamide | 2 - 4-amino-3,5,6-trichloro-N-[(Z)-(1,3-diphenylpyrazol-4-yl)methylideneamino]pyridine-2-carboxamide
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