| MolName | N'-(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-5-yl)-N-(4-phenoxyphenyl)butanediamide |
| MolecularFormula | C22H19N5O4 |
| Smiles | O=C(CCC(Nc(cc1)nc(N2)c1NC2=O)=O)Nc(cc1)ccc1Oc1ccccc1 |
| InChI | InChI=1S/C22H19N5O4/c28-19(23-14-6-8-16(9-7-14)31-15-4-2-1-3-5-15)12-13-20(29)25-18-11-10-17-21(26-18)27-22(30)24-17/h1-11H,12-13H2,(H,23,28)(H3,24,25,26,27,29,30) |
| InChIK | HRFMYYBMQZGLAK-UHFFFAOYSA-N |
| TotalMolweight | 417.424 |
| Molweight | 417.424 |
| MonoisotopicMass | 417.143705 |
| CLogP | 2.6474 |
| CLogS | -6.966 |
| H Acceptors | 9 |
| H Donors | 4 |
| TotalSurfaceArea | 314.65 |
| Relative PSA | 0.33666 |
| PolarSurfaceArea | 121.45 |
| Druglikeness | 0.0245 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.67742 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Amides | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - N'-(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-5-yl)-N-(4-phenoxyphenyl)butanediamide | 2 - N'-(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-5-yl)-N-(4-phenoxyphenyl)butanediamide