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 |
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| PubChem CID | 156686509 |
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| Molecular Formula | C23H26BrN5OSi |
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| Molecular Weight | 496.49 g/mol |
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| Exact Mass | 495.11 |
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| IUPAC Name | 2-[[5-(7-bromo-1,5-naphthyridin-2-yl)-4-(6-methyl-2-pyridinyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane |
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| SMILES | Cc1cccc(-c2ncn(COCC[Si](C)(C)C)c2-c2ccc3ncc(Br)cc3n2)n1 |
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| 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 |
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| InChIKey | ZVISZEIIHCGGNE-UHFFFAOYSA-N |
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| XLogP | 5.94 |
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| TPSA | 65.72 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 6 |
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| Rotatable Bonds | 7 |
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| Heavy Atoms | 31 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| 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'} |
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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).