2-[[5-(7-bromo-1,5-naphthyridin-2-yl)-4-(6-methyl-2-pyridinyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane

C₂₃H₂₆BrN₅OSi — CID 156686509

About 2-[[5-(7-bromo-1,5-naphthyridin-2-yl)-4-(6-methyl-2-pyridinyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane

2-[[5-(7-bromo-1,5-naphthyridin-2-yl)-4-(6-methyl-2-pyridinyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 156686509) has the molecular formula C₂₃H₂₆BrN₅OSi and a molecular weight of 496.49 g/mol. Its IUPAC name is 2-[[5-(7-bromo-1,5-naphthyridin-2-yl)-4-(6-methyl-2-pyridinyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

• Compound Name: 2-[[5-(7-bromo-1,5-naphthyridin-2-yl)-4-(6-methyl-2-pyridinyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane
• PubChem CID: 156686509
• Molecular Formula: C₂₃H₂₆BrN₅OSi
• Molecular Weight: 496.49 g/mol
• Exact Mass: 495.11
• IUPAC Name: 2-[[5-(7-bromo-1,5-naphthyridin-2-yl)-4-(6-methyl-2-pyridinyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane
• SMILES: Cc1cccc(-c2ncn(COCC[Si](C)(C)C)c2-c2ccc3ncc(Br)cc3n2)n1
• InChI: InChI=1S/C23H26BrN5OSi/c1-16-6-5-7-19(27-16)22-23(29(14-26-22)15-30-10-11-31(2,3)4)20-9-8-18-21(28-20)12-17(24)13-25-18/h5-9,12-14H,10-11,15H2,1-4H3
• InChIKey: ZVISZEIIHCGGNE-UHFFFAOYSA-N
• XLogP: 5.94
• TPSA: 65.72 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	496.49
LogP ≤ 5	5.94
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(7-bromo-1,5-naphthyridin-2-yl)-4-(6-methyl-2-pyridinyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane?

The IUPAC name of 2-[[5-(7-bromo-1,5-naphthyridin-2-yl)-4-(6-methyl-2-pyridinyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane (CID 156686509) is 2-[[5-(7-bromo-1,5-naphthyridin-2-yl)-4-(6-methyl-2-pyridinyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane.

What is the SMILES notation for 2-[[5-(7-bromo-1,5-naphthyridin-2-yl)-4-(6-methyl-2-pyridinyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane?

The canonical SMILES for 2-[[5-(7-bromo-1,5-naphthyridin-2-yl)-4-(6-methyl-2-pyridinyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane is Cc1cccc(-c2ncn(COCC[Si](C)(C)C)c2-c2ccc3ncc(Br)cc3n2)n1.

What is the InChIKey of 2-[[5-(7-bromo-1,5-naphthyridin-2-yl)-4-(6-methyl-2-pyridinyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane?

The InChIKey is ZVISZEIIHCGGNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26BrN5OSi/c1-16-6-5-7-19(27-16)22-23(29(14-26-22)15-30-10-11-31(2,3)4)20-9-8-18-21(28-20)12-17(24)13-25-18/h5-9,12-14H,10-11,15H2,1-4H3.

What are the key properties of 2-[[5-(7-bromo-1,5-naphthyridin-2-yl)-4-(6-methyl-2-pyridinyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane?

2-[[5-(7-bromo-1,5-naphthyridin-2-yl)-4-(6-methyl-2-pyridinyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 496.49 g/mol, XLogP of 5.94, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[5-(7-bromo-1,5-naphthyridin-2-yl)-4-(6-methyl-2-pyridinyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 156686509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 156686509 — identifiers, structure, computed properties (public domain)

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