(E)-3-phenyl-N-[6-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]pyridin-3-yl]prop-2-enamide
Formula:C24H22N5OF3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-phenyl-N-[6-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]pyridin-3-yl]prop-2-enamide is a drug-like molecule.
| MolName | (E)-3-phenyl-N-[6-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]pyridin-3-yl]prop-2-enamide |
| MolecularFormula | C24H22N5OF3 |
| Smiles | O=C(/C=C/c1ccccc1)Nc(cc1)cnc1N(CC1)CCN1c1ncc(C(F)(F)F)cc1 |
| InChI | InChI=1S/C24H22F3N5O/c25-24(26,27)19-7-9-21(28-16-19)31-12-14-32(15-13-31)22-10-8-20(17-29-22)30-23(33)11-6-18-4-2-1-3-5-18/h1-11,16-17H,12-15H2,(H,30,33) |
| InChIK | DNVJIEMLTRTJKK-UHFFFAOYSA-N |
| TotalMolweight | 453.467 |
| Molweight | 453.467 |
| MonoisotopicMass | 453.177644 |
| CLogP | 3.9592 |
| CLogS | -5.186 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 337.61 |
| Relative PSA | 0.15859 |
| PolarSurfaceArea | 61.36 |
| Druglikeness | -3.2466 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 5 |
| Symmetricatoms | 6 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 2 |
| StereoCon |
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1 - (E)-3-phenyl-N-[6-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]pyridin-3-yl]prop-2-enamide | 2 - (E)-3-phenyl-N-[6-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]pyridin-3-yl]prop-2-enamide
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