About 2-[[4-[5-(5-fluoro-2-pyridinyl)-1-(oxan-2-yl)pyrazol-4-yl]-6-methylpyrazolo[3,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
2-[[4-[5-(5-fluoro-2-pyridinyl)-1-(oxan-2-yl)pyrazol-4-yl]-6-methylpyrazolo[3,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 162760933) has the molecular formula C26H33FN6O2Si
and a molecular weight of 508.67 g/mol. Its IUPAC name is 2-[[4-[5-(5-fluoro-2-pyridinyl)-1-(oxan-2-yl)pyrazol-4-yl]-6-methylpyrazolo[3,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane.
Molecular Properties
| Compound Name | 2-[[4-[5-(5-fluoro-2-pyridinyl)-1-(oxan-2-yl)pyrazol-4-yl]-6-methylpyrazolo[3,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane |
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| PubChem CID | 162760933 |
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| Molecular Formula | C26H33FN6O2Si |
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| Molecular Weight | 508.67 g/mol |
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| Exact Mass | 508.24 |
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| IUPAC Name | 2-[[4-[5-(5-fluoro-2-pyridinyl)-1-(oxan-2-yl)pyrazol-4-yl]-6-methylpyrazolo[3,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane |
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| SMILES | Cc1cc(-c2cnn(C3CCCCO3)c2-c2ccc(F)cn2)c2cnn(COCC[Si](C)(C)C)c2n1 |
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| InChI | InChI=1S/C26H33FN6O2Si/c1-18-13-20(22-16-29-32(26(22)31-18)17-34-11-12-36(2,3)4)21-15-30-33(24-7-5-6-10-35-24)25(21)23-9-8-19(27)14-28-23/h8-9,13-16,24H,5-7,10-12,17H2,1-4H3 |
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| InChIKey | JVSBPSAXTVBKPQ-UHFFFAOYSA-N |
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| XLogP | 5.82 |
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| TPSA | 79.88 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 8 |
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| Rotatable Bonds | 8 |
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| Heavy Atoms | 36 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 508.67 |
| LogP ≤ 5 | 5.82 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 8 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
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Analyze 2-[[4-[5-(5-fluoro-2-pyridinyl)-1-(oxan-2-yl)pyrazol-4-yl]-6-methylpyrazolo[3,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane with MolForge
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Frequently Asked Questions
What is the IUPAC name of 2-[[4-[5-(5-fluoro-2-pyridinyl)-1-(oxan-2-yl)pyrazol-4-yl]-6-methylpyrazolo[3,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[4-[5-(5-fluoro-2-pyridinyl)-1-(oxan-2-yl)pyrazol-4-yl]-6-methylpyrazolo[3,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane (CID 162760933) is 2-[[4-[5-(5-fluoro-2-pyridinyl)-1-(oxan-2-yl)pyrazol-4-yl]-6-methylpyrazolo[3,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[4-[5-(5-fluoro-2-pyridinyl)-1-(oxan-2-yl)pyrazol-4-yl]-6-methylpyrazolo[3,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[4-[5-(5-fluoro-2-pyridinyl)-1-(oxan-2-yl)pyrazol-4-yl]-6-methylpyrazolo[3,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane is Cc1cc(-c2cnn(C3CCCCO3)c2-c2ccc(F)cn2)c2cnn(COCC[Si](C)(C)C)c2n1.
What is the InChIKey of 2-[[4-[5-(5-fluoro-2-pyridinyl)-1-(oxan-2-yl)pyrazol-4-yl]-6-methylpyrazolo[3,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is JVSBPSAXTVBKPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33FN6O2Si/c1-18-13-20(22-16-29-32(26(22)31-18)17-34-11-12-36(2,3)4)21-15-30-33(24-7-5-6-10-35-24)25(21)23-9-8-19(27)14-28-23/h8-9,13-16,24H,5-7,10-12,17H2,1-4H3.
What are the key properties of 2-[[4-[5-(5-fluoro-2-pyridinyl)-1-(oxan-2-yl)pyrazol-4-yl]-6-methylpyrazolo[3,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
2-[[4-[5-(5-fluoro-2-pyridinyl)-1-(oxan-2-yl)pyrazol-4-yl]-6-methylpyrazolo[3,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 508.67 g/mol, XLogP of 5.82, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[5-(5-fluoro-2-pyridinyl)-1-(oxan-2-yl)pyrazol-4-yl]-6-methylpyrazolo[3,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 162760933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).