N-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
Formula:C19H14N6OF2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine is a drug-like molecule.
| MolName | N-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine |
| MolecularFormula | C19H14N6OF2 |
| Smiles | FC(Oc1ccc(/C=N\Nc2ncnc3c2cnn3-c2ccccc2)cc1)F |
| InChI | InChI=1S/C19H14F2N6O/c20-19(21)28-15-8-6-13(7-9-15)10-24-26-17-16-11-25-27(18(16)23-12-22-17)14-4-2-1-3-5-14/h1-12,19H,(H,22,23,26) |
| InChIK | GHNGQPJJHKLFLN-UHFFFAOYSA-N |
| TotalMolweight | 380.357 |
| Molweight | 380.357 |
| MonoisotopicMass | 380.119715 |
| CLogP | 4.5671 |
| CLogS | -5.373 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 284.28 |
| Relative PSA | 0.25591 |
| PolarSurfaceArea | 77.22 |
| Druglikeness | 0.56239 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.64286 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 2 |
| Symmetricatoms | 5 |
| Aromatic Nitrogens | 4 |
| StereoCon |
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1 - N-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine | 2 - N-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
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