(E)-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)prop-2-enamide
Formula:C25H18N6OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)prop-2-enamide |
| MolecularFormula | C25H18N6OS |
| Smiles | O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cnccc1)Nc1nc(-c2ncccc2)cs1 |
| InChI | InChI=1S/C25H18N6OS/c32-23(29-25-28-22(17-33-25)21-10-4-5-14-27-21)12-11-19-16-31(20-8-2-1-3-9-20)30-24(19)18-7-6-13-26-15-18/h1-17H,(H,28,29,32) |
| InChIK | IPNKRXJHMYAHDR-UHFFFAOYSA-N |
| TotalMolweight | 450.525 |
| Molweight | 450.525 |
| MonoisotopicMass | 450.126279 |
| CLogP | 3.52 |
| CLogS | -4.624 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 348.19 |
| Relative PSA | 0.27459 |
| PolarSurfaceArea | 113.83 |
| Druglikeness | 3.6 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! thiazol-2-ylamine |
| Shape Index | 0.54545 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 28 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 5 |
| StereoCon |
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1 - (E)-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)prop-2-enamide | 2 - (E)-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)prop-2-enamide
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