About 2-[[4-[3-(5-chloro-2-pyridinyl)-1-methylpyrazol-4-yl]pyrazolo[3,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
2-[[4-[3-(5-chloro-2-pyridinyl)-1-methylpyrazol-4-yl]pyrazolo[3,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 162761018) has the molecular formula C21H25ClN6OSi
and a molecular weight of 441.01 g/mol. Its IUPAC name is 2-[[4-[3-(5-chloro-2-pyridinyl)-1-methylpyrazol-4-yl]pyrazolo[3,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane.
Molecular Properties
| Compound Name | 2-[[4-[3-(5-chloro-2-pyridinyl)-1-methylpyrazol-4-yl]pyrazolo[3,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane |
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| PubChem CID | 162761018 |
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| Molecular Formula | C21H25ClN6OSi |
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| Molecular Weight | 441.01 g/mol |
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| Exact Mass | 440.15 |
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| IUPAC Name | 2-[[4-[3-(5-chloro-2-pyridinyl)-1-methylpyrazol-4-yl]pyrazolo[3,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane |
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| SMILES | Cn1cc(-c2ccnc3c2cnn3COCC[Si](C)(C)C)c(-c2ccc(Cl)cn2)n1 |
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| InChI | InChI=1S/C21H25ClN6OSi/c1-27-13-18(20(26-27)19-6-5-15(22)11-24-19)16-7-8-23-21-17(16)12-25-28(21)14-29-9-10-30(2,3)4/h5-8,11-13H,9-10,14H2,1-4H3 |
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| InChIKey | AQGLRTZNQBIDSQ-UHFFFAOYSA-N |
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| XLogP | 4.86 |
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| TPSA | 70.65 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 7 |
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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
Passes Rule of Five
| Rule | Value |
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| MW ≤ 500 | 441.01 |
| LogP ≤ 5 | 4.86 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 7 |
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-[[4-[3-(5-chloro-2-pyridinyl)-1-methylpyrazol-4-yl]pyrazolo[3,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[4-[3-(5-chloro-2-pyridinyl)-1-methylpyrazol-4-yl]pyrazolo[3,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane (CID 162761018) is 2-[[4-[3-(5-chloro-2-pyridinyl)-1-methylpyrazol-4-yl]pyrazolo[3,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[4-[3-(5-chloro-2-pyridinyl)-1-methylpyrazol-4-yl]pyrazolo[3,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[4-[3-(5-chloro-2-pyridinyl)-1-methylpyrazol-4-yl]pyrazolo[3,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane is Cn1cc(-c2ccnc3c2cnn3COCC[Si](C)(C)C)c(-c2ccc(Cl)cn2)n1.
What is the InChIKey of 2-[[4-[3-(5-chloro-2-pyridinyl)-1-methylpyrazol-4-yl]pyrazolo[3,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is AQGLRTZNQBIDSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN6OSi/c1-27-13-18(20(26-27)19-6-5-15(22)11-24-19)16-7-8-23-21-17(16)12-25-28(21)14-29-9-10-30(2,3)4/h5-8,11-13H,9-10,14H2,1-4H3.
What are the key properties of 2-[[4-[3-(5-chloro-2-pyridinyl)-1-methylpyrazol-4-yl]pyrazolo[3,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
2-[[4-[3-(5-chloro-2-pyridinyl)-1-methylpyrazol-4-yl]pyrazolo[3,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 441.01 g/mol, XLogP of 4.86, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[3-(5-chloro-2-pyridinyl)-1-methylpyrazol-4-yl]pyrazolo[3,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 162761018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).