1-[3-[2-(4-imidazol-3-id-2-yl-1-methylimidazol-2-yl)propan-2-yl]benzene-2-id-1-yl]oxyimidazo[1,5-a]pyridine;platinum(2+)

C₂₃H₂₀N₆OPt — CID 58709106

About 1-[3-[2-(4-imidazol-3-id-2-yl-1-methylimidazol-2-yl)propan-2-yl]benzene-2-id-1-yl]oxyimidazo[1,5-a]pyridine;platinum(2+)

1-[3-[2-(4-imidazol-3-id-2-yl-1-methylimidazol-2-yl)propan-2-yl]benzene-2-id-1-yl]oxyimidazo[1,5-a]pyridine;platinum(2+) (PubChem CID 58709106) has the molecular formula C₂₃H₂₀N₆OPt and a molecular weight of 591.53 g/mol. Its IUPAC name is 1-[3-[2-(4-imidazol-3-id-2-yl-1-methylimidazol-2-yl)propan-2-yl]benzene-2-id-1-yl]oxyimidazo[1,5-a]pyridine;platinum(2+).

Molecular Properties

• Compound Name: 1-[3-[2-(4-imidazol-3-id-2-yl-1-methylimidazol-2-yl)propan-2-yl]benzene-2-id-1-yl]oxyimidazo[1,5-a]pyridine;platinum(2+)
• PubChem CID: 58709106
• Molecular Formula: C₂₃H₂₀N₆OPt
• Molecular Weight: 591.53 g/mol
• Exact Mass: 591.13
• IUPAC Name: 1-[3-[2-(4-imidazol-3-id-2-yl-1-methylimidazol-2-yl)propan-2-yl]benzene-2-id-1-yl]oxyimidazo[1,5-a]pyridine;platinum(2+)
• SMILES: Cn1cc(-c2ncc[n-]2)nc1C(C)(C)c1[c-]c(Oc2ncn3ccccc23)ccc1.[Pt+2]
• InChI: InChI=1S/C23H20N6O.Pt/c1-23(2,22-27-18(14-28(22)3)20-24-10-11-25-20)16-7-6-8-17(13-16)30-21-19-9-4-5-12-29(19)15-26-21;/h4-12,14-15H,1-3H3;/q-2;+2
• InChIKey: PQPCRCBSKBDFDA-UHFFFAOYSA-N
• XLogP: 4.00
• TPSA: 71.34 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	591.53
LogP ≤ 5	4.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-(4-imidazol-3-id-2-yl-1-methylimidazol-2-yl)propan-2-yl]benzene-2-id-1-yl]oxyimidazo[1,5-a]pyridine;platinum(2+)?

The IUPAC name of 1-[3-[2-(4-imidazol-3-id-2-yl-1-methylimidazol-2-yl)propan-2-yl]benzene-2-id-1-yl]oxyimidazo[1,5-a]pyridine;platinum(2+) (CID 58709106) is 1-[3-[2-(4-imidazol-3-id-2-yl-1-methylimidazol-2-yl)propan-2-yl]benzene-2-id-1-yl]oxyimidazo[1,5-a]pyridine;platinum(2+).

What is the SMILES notation for 1-[3-[2-(4-imidazol-3-id-2-yl-1-methylimidazol-2-yl)propan-2-yl]benzene-2-id-1-yl]oxyimidazo[1,5-a]pyridine;platinum(2+)?

The canonical SMILES for 1-[3-[2-(4-imidazol-3-id-2-yl-1-methylimidazol-2-yl)propan-2-yl]benzene-2-id-1-yl]oxyimidazo[1,5-a]pyridine;platinum(2+) is Cn1cc(-c2ncc[n-]2)nc1C(C)(C)c1[c-]c(Oc2ncn3ccccc23)ccc1.[Pt+2].

What is the InChIKey of 1-[3-[2-(4-imidazol-3-id-2-yl-1-methylimidazol-2-yl)propan-2-yl]benzene-2-id-1-yl]oxyimidazo[1,5-a]pyridine;platinum(2+)?

The InChIKey is PQPCRCBSKBDFDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N6O.Pt/c1-23(2,22-27-18(14-28(22)3)20-24-10-11-25-20)16-7-6-8-17(13-16)30-21-19-9-4-5-12-29(19)15-26-21;/h4-12,14-15H,1-3H3;/q-2;+2.

What are the key properties of 1-[3-[2-(4-imidazol-3-id-2-yl-1-methylimidazol-2-yl)propan-2-yl]benzene-2-id-1-yl]oxyimidazo[1,5-a]pyridine;platinum(2+)?

1-[3-[2-(4-imidazol-3-id-2-yl-1-methylimidazol-2-yl)propan-2-yl]benzene-2-id-1-yl]oxyimidazo[1,5-a]pyridine;platinum(2+) has a molecular weight of 591.53 g/mol, XLogP of 4.00, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[2-(4-imidazol-3-id-2-yl-1-methylimidazol-2-yl)propan-2-yl]benzene-2-id-1-yl]oxyimidazo[1,5-a]pyridine;platinum(2+) is sourced from PubChem (CID 58709106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 58709106 — identifiers, structure, computed properties (public domain)

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