About 2-[[5-(5-ethylpyrimidin-2-yl)-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane
2-[[5-(5-ethylpyrimidin-2-yl)-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 90400842) has the molecular formula C28H36N6O2Si
and a molecular weight of 516.72 g/mol. Its IUPAC name is 2-[[5-(5-ethylpyrimidin-2-yl)-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane.
Molecular Properties
| Compound Name | 2-[[5-(5-ethylpyrimidin-2-yl)-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane |
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| PubChem CID | 90400842 |
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| Molecular Formula | C28H36N6O2Si |
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| Molecular Weight | 516.72 g/mol |
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| Exact Mass | 516.27 |
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| IUPAC Name | 2-[[5-(5-ethylpyrimidin-2-yl)-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane |
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| SMILES | CCc1cnc(-c2ccc3c(c2)c(-c2ccnc(N4CCOCC4)c2)nn3COCC[Si](C)(C)C)nc1 |
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| InChI | InChI=1S/C28H36N6O2Si/c1-5-21-18-30-28(31-19-21)23-6-7-25-24(16-23)27(32-34(25)20-36-14-15-37(2,3)4)22-8-9-29-26(17-22)33-10-12-35-13-11-33/h6-9,16-19H,5,10-15,20H2,1-4H3 |
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| InChIKey | VXKIHAQHYKMJPH-UHFFFAOYSA-N |
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| XLogP | 5.27 |
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| TPSA | 78.19 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 8 |
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| Rotatable Bonds | 9 |
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| Heavy Atoms | 37 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 516.72 |
| LogP ≤ 5 | 5.27 |
| 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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Frequently Asked Questions
What is the IUPAC name of 2-[[5-(5-ethylpyrimidin-2-yl)-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[5-(5-ethylpyrimidin-2-yl)-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane (CID 90400842) is 2-[[5-(5-ethylpyrimidin-2-yl)-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[5-(5-ethylpyrimidin-2-yl)-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[5-(5-ethylpyrimidin-2-yl)-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane is CCc1cnc(-c2ccc3c(c2)c(-c2ccnc(N4CCOCC4)c2)nn3COCC[Si](C)(C)C)nc1.
What is the InChIKey of 2-[[5-(5-ethylpyrimidin-2-yl)-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is VXKIHAQHYKMJPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N6O2Si/c1-5-21-18-30-28(31-19-21)23-6-7-25-24(16-23)27(32-34(25)20-36-14-15-37(2,3)4)22-8-9-29-26(17-22)33-10-12-35-13-11-33/h6-9,16-19H,5,10-15,20H2,1-4H3.
What are the key properties of 2-[[5-(5-ethylpyrimidin-2-yl)-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane?
2-[[5-(5-ethylpyrimidin-2-yl)-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 516.72 g/mol, XLogP of 5.27, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(5-ethylpyrimidin-2-yl)-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 90400842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).