1-phenyl-N-[(Z)-pyridin-3-ylmethylideneamino]pyrazolo[3,4-d]pyrimidin-4-amine
Formula:C17H13N7
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-phenyl-N-[(Z)-pyridin-3-ylmethylideneamino]pyrazolo[3,4-d]pyrimidin-4-amine is a drug-like molecule.
| MolName | 1-phenyl-N-[(Z)-pyridin-3-ylmethylideneamino]pyrazolo[3,4-d]pyrimidin-4-amine |
| MolecularFormula | C17H13N7 |
| Smiles | C(c1cnccc1)=N\Nc1ncnc2c1cnn2-c1ccccc1 |
| InChI | InChI=1S/C17H13N7/c1-2-6-14(7-3-1)24-17-15(11-22-24)16(19-12-20-17)23-21-10-13-5-4-8-18-9-13/h1-12H,(H,19,20,23) |
| InChIK | JJSUYTGQCLBHFR-UHFFFAOYSA-N |
| TotalMolweight | 315.339 |
| Molweight | 315.339 |
| MonoisotopicMass | 315.123243 |
| CLogP | 3.3968 |
| CLogS | -3.956 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 247.84 |
| Relative PSA | 0.29745 |
| PolarSurfaceArea | 80.88 |
| Druglikeness | 3.7236 |
| 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 | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 5 |
| StereoCon |
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