N-[(Z)-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]pyridine-4-carboxamide
Formula:C24H17N5O2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]pyridine-4-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]pyridine-4-carboxamide |
| MolecularFormula | C24H17N5O2 |
| Smiles | O=C(c1ccncc1)N/N=C\c1cn(-c2ccccc2)nc1-c1cc(cccc2)c2o1 |
| InChI | InChI=1S/C24H17N5O2/c30-24(17-10-12-25-13-11-17)27-26-15-19-16-29(20-7-2-1-3-8-20)28-23(19)22-14-18-6-4-5-9-21(18)31-22/h1-16H,(H,27,30) |
| InChIK | HEBPYLYLRRELDU-UHFFFAOYSA-N |
| TotalMolweight | 407.432 |
| Molweight | 407.432 |
| MonoisotopicMass | 407.138225 |
| CLogP | 3.6623 |
| CLogS | -5.29 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 317.52 |
| Relative PSA | 0.24858 |
| PolarSurfaceArea | 85.31 |
| Druglikeness | 5.835 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.48387 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 26 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 3 |
| StereoCon |
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