About 2-[[3-(1H-benzimidazol-2-yl)-5-(4-methyl-5-pyridin-3-yl-3-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane
2-[[3-(1H-benzimidazol-2-yl)-5-(4-methyl-5-pyridin-3-yl-3-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 135718575) has the molecular formula C31H32N6OSi
and a molecular weight of 532.72 g/mol. Its IUPAC name is 2-[[3-(1H-benzimidazol-2-yl)-5-(4-methyl-5-pyridin-3-yl-3-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane.
Molecular Properties
| Compound Name | 2-[[3-(1H-benzimidazol-2-yl)-5-(4-methyl-5-pyridin-3-yl-3-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane |
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| PubChem CID | 135718575 |
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| Molecular Formula | C31H32N6OSi |
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| Molecular Weight | 532.72 g/mol |
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| Exact Mass | 532.24 |
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| IUPAC Name | 2-[[3-(1H-benzimidazol-2-yl)-5-(4-methyl-5-pyridin-3-yl-3-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane |
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| SMILES | Cc1c(-c2cccnc2)cncc1-c1ccc2c(c1)c(-c1nc3ccccc3[nH]1)nn2COCC[Si](C)(C)C |
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| InChI | InChI=1S/C31H32N6OSi/c1-21-25(18-33-19-26(21)23-8-7-13-32-17-23)22-11-12-29-24(16-22)30(31-34-27-9-5-6-10-28(27)35-31)36-37(29)20-38-14-15-39(2,3)4/h5-13,16-19H,14-15,20H2,1-4H3,(H,34,35) |
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| InChIKey | ZYFQUKXQCMCGMC-UHFFFAOYSA-N |
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| XLogP | 7.32 |
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| TPSA | 81.51 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 6 |
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| Rotatable Bonds | 8 |
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| Heavy Atoms | 39 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 532.72 |
| LogP ≤ 5 | 7.32 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 6 |
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-[[3-(1H-benzimidazol-2-yl)-5-(4-methyl-5-pyridin-3-yl-3-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[3-(1H-benzimidazol-2-yl)-5-(4-methyl-5-pyridin-3-yl-3-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane (CID 135718575) is 2-[[3-(1H-benzimidazol-2-yl)-5-(4-methyl-5-pyridin-3-yl-3-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[3-(1H-benzimidazol-2-yl)-5-(4-methyl-5-pyridin-3-yl-3-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[3-(1H-benzimidazol-2-yl)-5-(4-methyl-5-pyridin-3-yl-3-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane is Cc1c(-c2cccnc2)cncc1-c1ccc2c(c1)c(-c1nc3ccccc3[nH]1)nn2COCC[Si](C)(C)C.
What is the InChIKey of 2-[[3-(1H-benzimidazol-2-yl)-5-(4-methyl-5-pyridin-3-yl-3-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is ZYFQUKXQCMCGMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32N6OSi/c1-21-25(18-33-19-26(21)23-8-7-13-32-17-23)22-11-12-29-24(16-22)30(31-34-27-9-5-6-10-28(27)35-31)36-37(29)20-38-14-15-39(2,3)4/h5-13,16-19H,14-15,20H2,1-4H3,(H,34,35).
What are the key properties of 2-[[3-(1H-benzimidazol-2-yl)-5-(4-methyl-5-pyridin-3-yl-3-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane?
2-[[3-(1H-benzimidazol-2-yl)-5-(4-methyl-5-pyridin-3-yl-3-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 532.72 g/mol, XLogP of 7.32, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(1H-benzimidazol-2-yl)-5-(4-methyl-5-pyridin-3-yl-3-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 135718575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).