1-phenyl-5-[(Z)-pyridin-4-ylmethylideneamino]pyrazolo[3,4-d]pyrimidin-4-one
Formula:C17H12N6O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-phenyl-5-[(Z)-pyridin-4-ylmethylideneamino]pyrazolo[3,4-d]pyrimidin-4-one is a drug-like molecule.
| MolName | 1-phenyl-5-[(Z)-pyridin-4-ylmethylideneamino]pyrazolo[3,4-d]pyrimidin-4-one |
| MolecularFormula | C17H12N6O |
| Smiles | O=C(c(cnn1-c2ccccc2)c1N=C1)N1/N=C\c1ccncc1 |
| InChI | InChI=1S/C17H12N6O/c24-17-15-11-21-23(14-4-2-1-3-5-14)16(15)19-12-22(17)20-10-13-6-8-18-9-7-13/h1-12H |
| InChIK | JJIZCGUAMMSXNX-UHFFFAOYSA-N |
| TotalMolweight | 316.323 |
| Molweight | 316.323 |
| MonoisotopicMass | 316.107259 |
| CLogP | 0.9913 |
| CLogS | -3.264 |
| H Acceptors | 7 |
| TotalSurfaceArea | 243.57 |
| Relative PSA | 0.2809 |
| PolarSurfaceArea | 75.74 |
| Druglikeness | 5.3749 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 3 |
| StereoCon |
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