(E)-2-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-3-(4-morpholin-4-ylphenyl)prop-2-enenitrile
Formula:C19H16N5OBr
Mutagenic:high
Tumorigenic:low
Reproductive Effective:none
(E)-2-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-3-(4-morpholin-4-ylphenyl)prop-2-enenitrile is a drug-like molecule.
| MolName | (E)-2-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-3-(4-morpholin-4-ylphenyl)prop-2-enenitrile |
| MolecularFormula | C19H16N5OBr |
| Smiles | N#C/C(/c([nH]c1c2)nc1ncc2Br)=C\c(cc1)ccc1N1CCOCC1 |
| InChI | InChI=1S/C19H16BrN5O/c20-15-10-17-19(22-12-15)24-18(23-17)14(11-21)9-13-1-3-16(4-2-13)25-5-7-26-8-6-25/h1-4,9-10,12H,5-8H2,(H,22,23,24) |
| InChIK | DVVAWPLPPIUGQL-UHFFFAOYSA-N |
| TotalMolweight | 410.274 |
| Molweight | 410.274 |
| MonoisotopicMass | 409.053821 |
| CLogP | 2.4979 |
| CLogS | -4.111 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 281.6 |
| Relative PSA | 0.22386 |
| PolarSurfaceArea | 77.83 |
| Druglikeness | -4.02 |
| Mutagenic | high |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| Amines | 1 |
| Aromatic Amines | 1 |
| 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-morpholin-4-ylphenyl)prop-2-enenitrile | 2 - (E)-2-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-3-(4-morpholin-4-ylphenyl)prop-2-enenitrile
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