About 2-[[3-(2-fluoro-4-pyridinyl)-4-piperidin-1-ylpyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
2-[[3-(2-fluoro-4-pyridinyl)-4-piperidin-1-ylpyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 58395751) has the molecular formula C23H31FN4OSi
and a molecular weight of 426.61 g/mol. Its IUPAC name is 2-[[3-(2-fluoro-4-pyridinyl)-4-piperidin-1-ylpyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane.
Molecular Properties
| Compound Name | 2-[[3-(2-fluoro-4-pyridinyl)-4-piperidin-1-ylpyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane |
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| PubChem CID | 58395751 |
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| Molecular Formula | C23H31FN4OSi |
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| Molecular Weight | 426.61 g/mol |
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| Exact Mass | 426.23 |
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| IUPAC Name | 2-[[3-(2-fluoro-4-pyridinyl)-4-piperidin-1-ylpyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane |
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| SMILES | C[Si](C)(C)CCOCn1cc(-c2ccnc(F)c2)c2c(N3CCCCC3)ccnc21 |
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| InChI | InChI=1S/C23H31FN4OSi/c1-30(2,3)14-13-29-17-28-16-19(18-7-9-25-21(24)15-18)22-20(8-10-26-23(22)28)27-11-5-4-6-12-27/h7-10,15-16H,4-6,11-14,17H2,1-3H3 |
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| InChIKey | BCDPVSSCRMQGNP-UHFFFAOYSA-N |
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| XLogP | 5.54 |
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| TPSA | 43.18 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 5 |
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| Rotatable Bonds | 7 |
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| Heavy Atoms | 30 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 426.61 |
| LogP ≤ 5 | 5.54 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 5 |
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-piperidin-1-ylpyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[3-(2-fluoro-4-pyridinyl)-4-piperidin-1-ylpyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane (CID 58395751) is 2-[[3-(2-fluoro-4-pyridinyl)-4-piperidin-1-ylpyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[3-(2-fluoro-4-pyridinyl)-4-piperidin-1-ylpyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[3-(2-fluoro-4-pyridinyl)-4-piperidin-1-ylpyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCn1cc(-c2ccnc(F)c2)c2c(N3CCCCC3)ccnc21.
What is the InChIKey of 2-[[3-(2-fluoro-4-pyridinyl)-4-piperidin-1-ylpyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is BCDPVSSCRMQGNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31FN4OSi/c1-30(2,3)14-13-29-17-28-16-19(18-7-9-25-21(24)15-18)22-20(8-10-26-23(22)28)27-11-5-4-6-12-27/h7-10,15-16H,4-6,11-14,17H2,1-3H3.
What are the key properties of 2-[[3-(2-fluoro-4-pyridinyl)-4-piperidin-1-ylpyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
2-[[3-(2-fluoro-4-pyridinyl)-4-piperidin-1-ylpyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 426.61 g/mol, XLogP of 5.54, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(2-fluoro-4-pyridinyl)-4-piperidin-1-ylpyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 58395751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).