N-[(Z)-(2-chloroimidazo[1,2-a]pyridin-3-yl)methylideneamino]-2,4-dioxo-1H-pyrimidine-6-carboxamide
Formula:C13H9N6O3Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
N-[(Z)-(2-chloroimidazo[1,2-a]pyridin-3-yl)methylideneamino]-2,4-dioxo-1H-pyrimidine-6-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(2-chloroimidazo[1,2-a]pyridin-3-yl)methylideneamino]-2,4-dioxo-1H-pyrimidine-6-carboxamide |
| MolecularFormula | C13H9N6O3Cl |
| Smiles | O=C(C(NC(N1)=O)=CC1=O)N/N=C\c(n(cccc1)c1n1)c1Cl |
| InChI | InChI=1S/C13H9ClN6O3/c14-11-8(20-4-2-1-3-9(20)17-11)6-15-19-12(22)7-5-10(21)18-13(23)16-7/h1-6H,(H,19,22)(H2,16,18,21,23) |
| InChIK | HKGKBLAPVKFLFP-UHFFFAOYSA-N |
| TotalMolweight | 332.706 |
| Molweight | 332.706 |
| MonoisotopicMass | 332.042466 |
| CLogP | 0.1084 |
| CLogS | -4.879 |
| H Acceptors | 9 |
| H Donors | 3 |
| TotalSurfaceArea | 236.29 |
| Relative PSA | 0.43984 |
| PolarSurfaceArea | 116.96 |
| Druglikeness | 5.7294 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.56522 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 9 |
| Amides | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-(2-chloroimidazo[1,2-a]pyridin-3-yl)methylideneamino]-2,4-dioxo-1H-pyrimidine-6-carboxamide | 2 - N-[(Z)-(2-chloroimidazo[1,2-a]pyridin-3-yl)methylideneamino]-2,4-dioxo-1H-pyrimidine-6-carboxamide
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