4-[4-(9H-fluoren-9-yl)piperazin-1-yl]-4-oxo-N-(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-5-yl)butanamide
Formula:C27H26N6O3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
4-[4-(9H-fluoren-9-yl)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-(9H-fluoren-9-yl)piperazin-1-yl]-4-oxo-N-(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-5-yl)butanamide |
| MolecularFormula | C27H26N6O3 |
| Smiles | O=C(CCC(N(CC1)CCN1C1c(cccc2)c2-c2c1cccc2)=O)Nc(cc1)nc(N2)c1NC2=O |
| InChI | InChI=1S/C27H26N6O3/c34-23(29-22-10-9-21-26(30-22)31-27(36)28-21)11-12-24(35)32-13-15-33(16-14-32)25-19-7-3-1-5-17(19)18-6-2-4-8-20(18)25/h1-10,25H,11-16H2,(H3,28,29,30,31,34,36) |
| InChIK | NRJFMUGJLJBMCX-UHFFFAOYSA-N |
| TotalMolweight | 482.542 |
| Molweight | 482.542 |
| MonoisotopicMass | 482.206639 |
| CLogP | 3.1959 |
| CLogS | -5.952 |
| H Acceptors | 9 |
| H Donors | 3 |
| TotalSurfaceArea | 354.33 |
| Relative PSA | 0.25843 |
| PolarSurfaceArea | 106.67 |
| Druglikeness | 6.1325 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 8 |
| Symmetricatoms | 8 |
| Amides | 4 |
| Amines | 1 |
| AlkylAmines | 1 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 4-[4-(9H-fluoren-9-yl)piperazin-1-yl]-4-oxo-N-(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-5-yl)butanamide | 2 - 4-[4-(9H-fluoren-9-yl)piperazin-1-yl]-4-oxo-N-(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-5-yl)butanamide
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