About 2-[[3-(2-fluoro-4-pyridinyl)-4-(4-methylpiperazin-1-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
2-[[3-(2-fluoro-4-pyridinyl)-4-(4-methylpiperazin-1-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 67330128) has the molecular formula C23H32FN5OSi
and a molecular weight of 441.63 g/mol. Its IUPAC name is 2-[[3-(2-fluoro-4-pyridinyl)-4-(4-methylpiperazin-1-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane.
Molecular Properties
| Compound Name | 2-[[3-(2-fluoro-4-pyridinyl)-4-(4-methylpiperazin-1-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane |
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| PubChem CID | 67330128 |
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| Molecular Formula | C23H32FN5OSi |
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| Molecular Weight | 441.63 g/mol |
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| Exact Mass | 441.24 |
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| IUPAC Name | 2-[[3-(2-fluoro-4-pyridinyl)-4-(4-methylpiperazin-1-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane |
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| SMILES | CN1CCN(c2ccnc3c2c(-c2ccnc(F)c2)cn3COCC[Si](C)(C)C)CC1 |
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| InChI | InChI=1S/C23H32FN5OSi/c1-27-9-11-28(12-10-27)20-6-8-26-23-22(20)19(18-5-7-25-21(24)15-18)16-29(23)17-30-13-14-31(2,3)4/h5-8,15-16H,9-14,17H2,1-4H3 |
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| InChIKey | JDKOJAPHOBOGOT-UHFFFAOYSA-N |
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| XLogP | 4.30 |
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| TPSA | 46.42 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
Passes Rule of Five
| Rule | Value |
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| MW ≤ 500 | 441.63 |
| LogP ≤ 5 | 4.30 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 6 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'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-[[3-(2-fluoro-4-pyridinyl)-4-(4-methylpiperazin-1-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[3-(2-fluoro-4-pyridinyl)-4-(4-methylpiperazin-1-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane (CID 67330128) is 2-[[3-(2-fluoro-4-pyridinyl)-4-(4-methylpiperazin-1-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[3-(2-fluoro-4-pyridinyl)-4-(4-methylpiperazin-1-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[3-(2-fluoro-4-pyridinyl)-4-(4-methylpiperazin-1-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane is CN1CCN(c2ccnc3c2c(-c2ccnc(F)c2)cn3COCC[Si](C)(C)C)CC1.
What is the InChIKey of 2-[[3-(2-fluoro-4-pyridinyl)-4-(4-methylpiperazin-1-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is JDKOJAPHOBOGOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32FN5OSi/c1-27-9-11-28(12-10-27)20-6-8-26-23-22(20)19(18-5-7-25-21(24)15-18)16-29(23)17-30-13-14-31(2,3)4/h5-8,15-16H,9-14,17H2,1-4H3.
What are the key properties of 2-[[3-(2-fluoro-4-pyridinyl)-4-(4-methylpiperazin-1-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
2-[[3-(2-fluoro-4-pyridinyl)-4-(4-methylpiperazin-1-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 441.63 g/mol, XLogP of 4.30, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(2-fluoro-4-pyridinyl)-4-(4-methylpiperazin-1-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 67330128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).