N-[(Z)-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]-3-chloro-5-(trifluoromethyl)pyridin-2-amine
Formula:C24H15N5OClF3
Mutagenic:none
Tumorigenic:high
Reproductive Effective:low
N-[(Z)-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]-3-chloro-5-(trifluoromethyl)pyridin-2-amine is not a drug-like molecule.
| MolName | N-[(Z)-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]-3-chloro-5-(trifluoromethyl)pyridin-2-amine |
| MolecularFormula | C24H15N5OClF3 |
| Smiles | FC(c1cc(Cl)c(N/N=C\c2cn(-c3ccccc3)nc2-c2cc(cccc3)c3o2)nc1)(F)F |
| InChI | InChI=1S/C24H15ClF3N5O/c25-19-11-17(24(26,27)28)13-29-23(19)31-30-12-16-14-33(18-7-2-1-3-8-18)32-22(16)21-10-15-6-4-5-9-20(15)34-21/h1-14H,(H,29,31) |
| InChIK | OKHBMYVCIDCONH-UHFFFAOYSA-N |
| TotalMolweight | 481.864 |
| Molweight | 481.864 |
| MonoisotopicMass | 481.091721 |
| CLogP | 7.1073 |
| CLogS | -6.757 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 344.65 |
| Relative PSA | 0.19118 |
| PolarSurfaceArea | 68.24 |
| Druglikeness | -3.3048 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | high |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.47059 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 26 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 3 |
| BasicNitrogens | 1 |
| StereoCon |
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