(E)-2-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-3-(4-phenylmethoxyphenyl)prop-2-enenitrile
Formula:C22H15N4OBr
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-2-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-3-(4-phenylmethoxyphenyl)prop-2-enenitrile is a drug-like molecule.
| MolName | (E)-2-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-3-(4-phenylmethoxyphenyl)prop-2-enenitrile |
| MolecularFormula | C22H15N4OBr |
| Smiles | N#C/C(/c([nH]c1c2)nc1ncc2Br)=C\c(cc1)ccc1OCc1ccccc1 |
| InChI | InChI=1S/C22H15BrN4O/c23-18-11-20-22(25-13-18)27-21(26-20)17(12-24)10-15-6-8-19(9-7-15)28-14-16-4-2-1-3-5-16/h1-11,13H,14H2,(H,25,26,27) |
| InChIK | DTDXFGKIRNJGGP-UHFFFAOYSA-N |
| TotalMolweight | 431.292 |
| Molweight | 431.292 |
| MonoisotopicMass | 430.042922 |
| CLogP | 4.177 |
| CLogS | -5.349 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 303.28 |
| Relative PSA | 0.19616 |
| PolarSurfaceArea | 74.59 |
| Druglikeness | -5.8085 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.64286 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 3 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - (E)-2-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-3-(4-phenylmethoxyphenyl)prop-2-enenitrile | 2 - (E)-2-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-3-(4-phenylmethoxyphenyl)prop-2-enenitrile
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