4-[4-(2-naphthalen-1-yloxyethyl)piperazin-1-yl]-4-oxo-N-(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-5-yl)butanamide
Formula:C26H28N6O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[4-(2-naphthalen-1-yloxyethyl)piperazin-1-yl]-4-oxo-N-(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-5-yl)butanamide is a drug-like molecule.
| MolName | 4-[4-(2-naphthalen-1-yloxyethyl)piperazin-1-yl]-4-oxo-N-(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-5-yl)butanamide |
| MolecularFormula | C26H28N6O4 |
| Smiles | O=C(CCC(N1CCN(CCOc2cccc3ccccc23)CC1)=O)Nc(cc1)nc(N2)c1NC2=O |
| InChI | InChI=1S/C26H28N6O4/c33-23(28-22-9-8-20-25(29-22)30-26(35)27-20)10-11-24(34)32-14-12-31(13-15-32)16-17-36-21-7-3-5-18-4-1-2-6-19(18)21/h1-9H,10-17H2,(H3,27,28,29,30,33,35) |
| InChIK | FFLYUUVZVWNORI-UHFFFAOYSA-N |
| TotalMolweight | 488.546 |
| Molweight | 488.546 |
| MonoisotopicMass | 488.217204 |
| CLogP | 2.5074 |
| CLogS | -5.225 |
| H Acceptors | 10 |
| H Donors | 3 |
| TotalSurfaceArea | 367.69 |
| Relative PSA | 0.27624 |
| PolarSurfaceArea | 115.9 |
| Druglikeness | 6.9902 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.63889 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 8 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 10 |
| Symmetricatoms | 2 |
| Amides | 4 |
| Amines | 1 |
| AlkylAmines | 1 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 4-[4-(2-naphthalen-1-yloxyethyl)piperazin-1-yl]-4-oxo-N-(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-5-yl)butanamide | 2 - 4-[4-(2-naphthalen-1-yloxyethyl)piperazin-1-yl]-4-oxo-N-(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-5-yl)butanamide
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