4-(4-cyclopentylpiperazin-1-yl)-4-oxo-N-(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-5-yl)butanamide
Formula:C19H26N6O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-(4-cyclopentylpiperazin-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-cyclopentylpiperazin-1-yl)-4-oxo-N-(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-5-yl)butanamide |
| MolecularFormula | C19H26N6O3 |
| Smiles | O=C(CCC(N(CC1)CCN1C1CCCC1)=O)Nc(cc1)nc(N2)c1NC2=O |
| InChI | InChI=1S/C19H26N6O3/c26-16(21-15-6-5-14-18(22-15)23-19(28)20-14)7-8-17(27)25-11-9-24(10-12-25)13-3-1-2-4-13/h5-6,13H,1-4,7-12H2,(H3,20,21,22,23,26,28) |
| InChIK | QKMYJGAFEAXJMP-UHFFFAOYSA-N |
| TotalMolweight | 386.454 |
| Molweight | 386.454 |
| MonoisotopicMass | 386.206639 |
| CLogP | 1.1017 |
| CLogS | -3.673 |
| H Acceptors | 9 |
| H Donors | 3 |
| TotalSurfaceArea | 289.85 |
| Relative PSA | 0.31592 |
| PolarSurfaceArea | 106.67 |
| Druglikeness | 4.5607 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.64286 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 12 |
| Symmetricatoms | 4 |
| Amides | 4 |
| Amines | 1 |
| AlkylAmines | 1 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 4-(4-cyclopentylpiperazin-1-yl)-4-oxo-N-(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-5-yl)butanamide | 2 - 4-(4-cyclopentylpiperazin-1-yl)-4-oxo-N-(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-5-yl)butanamide
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