1-phenyl-N-[(Z)-thiophen-2-ylmethylideneamino]pyrazolo[3,4-d]pyrimidin-4-amine
Formula:C16H12N6S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-phenyl-N-[(Z)-thiophen-2-ylmethylideneamino]pyrazolo[3,4-d]pyrimidin-4-amine is a drug-like molecule.
| MolName | 1-phenyl-N-[(Z)-thiophen-2-ylmethylideneamino]pyrazolo[3,4-d]pyrimidin-4-amine |
| MolecularFormula | C16H12N6S |
| Smiles | C(c1cccs1)=N\Nc1ncnc2c1cnn2-c1ccccc1 |
| InChI | InChI=1S/C16H12N6S/c1-2-5-12(6-3-1)22-16-14(10-20-22)15(17-11-18-16)21-19-9-13-7-4-8-23-13/h1-11H,(H,17,18,21) |
| InChIK | ANVRKLRKVWMWOK-UHFFFAOYSA-N |
| TotalMolweight | 320.379 |
| Molweight | 320.379 |
| MonoisotopicMass | 320.084414 |
| CLogP | 4.2643 |
| CLogS | -4.761 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 245.02 |
| Relative PSA | 0.3392 |
| PolarSurfaceArea | 96.23 |
| Druglikeness | 5.1525 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.6087 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 4 |
| StereoCon |
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1 - 1-phenyl-N-[(Z)-thiophen-2-ylmethylideneamino]pyrazolo[3,4-d]pyrimidin-4-amine | 2 - 1-phenyl-N-[(Z)-thiophen-2-ylmethylideneamino]pyrazolo[3,4-d]pyrimidin-4-amine
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