| MolName | N-[(4-fluorophenyl)methyl]-N'-(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-5-yl)butanediamide |
| MolecularFormula | C17H16N5O3F |
| Smiles | O=C(CCC(Nc(cc1)nc(N2)c1NC2=O)=O)NCc(cc1)ccc1F |
| InChI | InChI=1S/C17H16FN5O3/c18-11-3-1-10(2-4-11)9-19-14(24)7-8-15(25)21-13-6-5-12-16(22-13)23-17(26)20-12/h1-6H,7-9H2,(H,19,24)(H3,20,21,22,23,25,26) |
| InChIK | UTTVUJVDGUWMHR-UHFFFAOYSA-N |
| TotalMolweight | 357.344 |
| Molweight | 357.344 |
| MonoisotopicMass | 357.123718 |
| CLogP | 1.062 |
| CLogS | -4.799 |
| H Acceptors | 8 |
| H Donors | 4 |
| TotalSurfaceArea | 265 |
| Relative PSA | 0.362 |
| PolarSurfaceArea | 112.22 |
| Druglikeness | -0.79982 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.69231 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - N-[(4-fluorophenyl)methyl]-N'-(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-5-yl)butanediamide | 2 - N-[(4-fluorophenyl)methyl]-N'-(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-5-yl)butanediamide