1-benzyl-N-[(Z)-pyridin-3-ylmethylideneamino]pyrazolo[3,4-d]pyrimidin-4-amine
Formula:C18H15N7
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-benzyl-N-[(Z)-pyridin-3-ylmethylideneamino]pyrazolo[3,4-d]pyrimidin-4-amine is a drug-like molecule.
| MolName | 1-benzyl-N-[(Z)-pyridin-3-ylmethylideneamino]pyrazolo[3,4-d]pyrimidin-4-amine |
| MolecularFormula | C18H15N7 |
| Smiles | C(c1ccccc1)n1ncc2c1ncnc2N/N=C\c1cnccc1 |
| InChI | InChI=1S/C18H15N7/c1-2-5-14(6-3-1)12-25-18-16(11-23-25)17(20-13-21-18)24-22-10-15-7-4-8-19-9-15/h1-11,13H,12H2,(H,20,21,24) |
| InChIK | IYYVYKOERSXQCA-UHFFFAOYSA-N |
| TotalMolweight | 329.366 |
| Molweight | 329.366 |
| MonoisotopicMass | 329.138893 |
| CLogP | 3.6478 |
| CLogS | -3.778 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 261.6 |
| Relative PSA | 0.2818 |
| PolarSurfaceArea | 80.88 |
| Druglikeness | 4.3761 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.64 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 5 |
| StereoCon |
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1 - 1-benzyl-N-[(Z)-pyridin-3-ylmethylideneamino]pyrazolo[3,4-d]pyrimidin-4-amine | 2 - 1-benzyl-N-[(Z)-pyridin-3-ylmethylideneamino]pyrazolo[3,4-d]pyrimidin-4-amine
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