About 2-[[2-(4-fluorophenyl)-4-pyridin-4-yl-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)imidazol-1-yl]methoxy]ethyl-trimethylsilane
2-[[2-(4-fluorophenyl)-4-pyridin-4-yl-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)imidazol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 66590952) has the molecular formula C27H28FN5OSi
and a molecular weight of 485.64 g/mol. Its IUPAC name is 2-[[2-(4-fluorophenyl)-4-pyridin-4-yl-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)imidazol-1-yl]methoxy]ethyl-trimethylsilane.
Molecular Properties
| Compound Name | 2-[[2-(4-fluorophenyl)-4-pyridin-4-yl-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)imidazol-1-yl]methoxy]ethyl-trimethylsilane |
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| PubChem CID | 66590952 |
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| Molecular Formula | C27H28FN5OSi |
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| Molecular Weight | 485.64 g/mol |
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| Exact Mass | 485.20 |
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| IUPAC Name | 2-[[2-(4-fluorophenyl)-4-pyridin-4-yl-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)imidazol-1-yl]methoxy]ethyl-trimethylsilane |
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| SMILES | C[Si](C)(C)CCOCn1c(-c2ccc(F)cc2)nc(-c2ccncc2)c1-c1cnc2[nH]ccc2c1 |
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| InChI | InChI=1S/C27H28FN5OSi/c1-35(2,3)15-14-34-18-33-25(22-16-21-10-13-30-26(21)31-17-22)24(19-8-11-29-12-9-19)32-27(33)20-4-6-23(28)7-5-20/h4-13,16-17H,14-15,18H2,1-3H3,(H,30,31) |
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| InChIKey | QNRUDFYQOARJAB-UHFFFAOYSA-N |
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| XLogP | 6.61 |
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| TPSA | 68.62 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 5 |
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| Rotatable Bonds | 8 |
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| Heavy Atoms | 35 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 485.64 |
| LogP ≤ 5 | 6.61 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 5 |
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-[[2-(4-fluorophenyl)-4-pyridin-4-yl-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)imidazol-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[2-(4-fluorophenyl)-4-pyridin-4-yl-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)imidazol-1-yl]methoxy]ethyl-trimethylsilane (CID 66590952) is 2-[[2-(4-fluorophenyl)-4-pyridin-4-yl-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)imidazol-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[2-(4-fluorophenyl)-4-pyridin-4-yl-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)imidazol-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[2-(4-fluorophenyl)-4-pyridin-4-yl-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)imidazol-1-yl]methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCn1c(-c2ccc(F)cc2)nc(-c2ccncc2)c1-c1cnc2[nH]ccc2c1.
What is the InChIKey of 2-[[2-(4-fluorophenyl)-4-pyridin-4-yl-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)imidazol-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is QNRUDFYQOARJAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28FN5OSi/c1-35(2,3)15-14-34-18-33-25(22-16-21-10-13-30-26(21)31-17-22)24(19-8-11-29-12-9-19)32-27(33)20-4-6-23(28)7-5-20/h4-13,16-17H,14-15,18H2,1-3H3,(H,30,31).
What are the key properties of 2-[[2-(4-fluorophenyl)-4-pyridin-4-yl-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)imidazol-1-yl]methoxy]ethyl-trimethylsilane?
2-[[2-(4-fluorophenyl)-4-pyridin-4-yl-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)imidazol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 485.64 g/mol, XLogP of 6.61, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-fluorophenyl)-4-pyridin-4-yl-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)imidazol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 66590952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).