(Z)-1-(1,3-diphenylpyrazol-4-yl)-N-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanimine
Formula:C25H25N6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-1-(1,3-diphenylpyrazol-4-yl)-N-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanimine is a drug-like molecule.
| MolName | (Z)-1-(1,3-diphenylpyrazol-4-yl)-N-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanimine |
| MolecularFormula | C25H25N6 |
| Smiles | C(CN(CC1)/N=C\c2cn(-c3ccccc3)nc2-c2ccccc2)N1c1[nH+]cccc1 |
| InChI | InChI=1S/C25H24N6/c1-3-9-21(10-4-1)25-22(20-31(28-25)23-11-5-2-6-12-23)19-27-30-17-15-29(16-18-30)24-13-7-8-14-26-24/h1-14,19-20H,15-18H2/p+1 |
| InChIK | FCIFGNWMXPAVJU-UHFFFAOYSA-O |
| TotalMolweight | 409.515 |
| Molweight | 409.515 |
| MonoisotopicMass | 409.214069 |
| CLogP | 1.3878 |
| CLogS | -4.421 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 315.19 |
| Relative PSA | 0.11564 |
| PolarSurfaceArea | 50.8 |
| Druglikeness | 6.701 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.54839 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 5 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 3 |
| BasicNitrogens | 1 |
| StereoCon |
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