Fazadinium

C₂₈H₂₄N₆+2 — CID 5487713

About Fazadinium

Fazadinium (PubChem CID 5487713) has the molecular formula C₂₈H₂₄N₆+2 and a molecular weight of 444.54 g/mol. Its IUPAC name is (E)-bis(3-methyl-2-phenylimidazo[1,2-a]pyridin-4-ium-1-yl)diazene.

Molecular Properties

• Compound Name: Fazadinium
• PubChem CID: 5487713
• Molecular Formula: C₂₈H₂₄N₆+2
• Molecular Weight: 444.54 g/mol
• Exact Mass: 444.21
• IUPAC Name: (E)-bis(3-methyl-2-phenylimidazo[1,2-a]pyridin-4-ium-1-yl)diazene
• SMILES: Cc1c(-c2ccccc2)n(/N=N/n2c(-c3ccccc3)c(C)[n+]3ccccc23)c2cccc[n+]12
• InChI: InChI=1S/C28H24N6/c1-21-27(23-13-5-3-6-14-23)33(25-17-9-11-19-31(21)25)29-30-34-26-18-10-12-20-32(26)22(2)28(34)24-15-7-4-8-16-24/h3-20H,1-2H3/q+2/b30-29+
• InChIKey: NJAGGYXZTILBMJ-QVIHXGFCSA-N
• XLogP: 5.40
• TPSA: 42.78 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	444.54
LogP ≤ 5	5.40
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Fazadinium?

The IUPAC name of Fazadinium (CID 5487713) is (E)-bis(3-methyl-2-phenylimidazo[1,2-a]pyridin-4-ium-1-yl)diazene.

What is the SMILES notation for Fazadinium?

The canonical SMILES for Fazadinium is Cc1c(-c2ccccc2)n(/N=N/n2c(-c3ccccc3)c(C)[n+]3ccccc23)c2cccc[n+]12.

What is the InChIKey of Fazadinium?

The InChIKey is NJAGGYXZTILBMJ-QVIHXGFCSA-N. The full InChI is InChI=1S/C28H24N6/c1-21-27(23-13-5-3-6-14-23)33(25-17-9-11-19-31(21)25)29-30-34-26-18-10-12-20-32(26)22(2)28(34)24-15-7-4-8-16-24/h3-20H,1-2H3/q+2/b30-29+.

What are the key properties of Fazadinium?

Fazadinium has a molecular weight of 444.54 g/mol, XLogP of 5.40, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for Fazadinium is sourced from PubChem (CID 5487713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 5487713 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 4535 — approved-drug record (CC BY-SA 4.0)

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