About [2-[7-methyl-2-(2-trimethylsilylethoxymethyl)indazol-5-yl]-1-[1-(pyridin-2-ylmethyl)imidazol-2-yl]ethyl]carbamic acid
[2-[7-methyl-2-(2-trimethylsilylethoxymethyl)indazol-5-yl]-1-[1-(pyridin-2-ylmethyl)imidazol-2-yl]ethyl]carbamic acid (PubChem CID 69064695) has the molecular formula C26H34N6O3Si
and a molecular weight of 506.68 g/mol. Its IUPAC name is [2-[7-methyl-2-(2-trimethylsilylethoxymethyl)indazol-5-yl]-1-[1-(pyridin-2-ylmethyl)imidazol-2-yl]ethyl]carbamic acid.
Molecular Properties
| Compound Name | [2-[7-methyl-2-(2-trimethylsilylethoxymethyl)indazol-5-yl]-1-[1-(pyridin-2-ylmethyl)imidazol-2-yl]ethyl]carbamic acid |
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| PubChem CID | 69064695 |
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| Molecular Formula | C26H34N6O3Si |
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| Molecular Weight | 506.68 g/mol |
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| Exact Mass | 506.25 |
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| IUPAC Name | [2-[7-methyl-2-(2-trimethylsilylethoxymethyl)indazol-5-yl]-1-[1-(pyridin-2-ylmethyl)imidazol-2-yl]ethyl]carbamic acid |
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| SMILES | Cc1cc(CC(NC(=O)O)c2nccn2Cc2ccccn2)cc2cn(COCC[Si](C)(C)C)nc12 |
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| InChI | InChI=1S/C26H34N6O3Si/c1-19-13-20(14-21-16-32(30-24(19)21)18-35-11-12-36(2,3)4)15-23(29-26(33)34)25-28-9-10-31(25)17-22-7-5-6-8-27-22/h5-10,13-14,16,23,29H,11-12,15,17-18H2,1-4H3,(H,33,34) |
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| InChIKey | YWFKLVCUDPUTKB-UHFFFAOYSA-N |
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| XLogP | 4.85 |
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| TPSA | 107.09 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 7 |
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| Rotatable Bonds | 11 |
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| Heavy Atoms | 36 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 506.68 |
| LogP ≤ 5 | 4.85 |
| H-Bond Donors ≤ 5 | 2 |
| 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-[7-methyl-2-(2-trimethylsilylethoxymethyl)indazol-5-yl]-1-[1-(pyridin-2-ylmethyl)imidazol-2-yl]ethyl]carbamic acid?
The IUPAC name of [2-[7-methyl-2-(2-trimethylsilylethoxymethyl)indazol-5-yl]-1-[1-(pyridin-2-ylmethyl)imidazol-2-yl]ethyl]carbamic acid (CID 69064695) is [2-[7-methyl-2-(2-trimethylsilylethoxymethyl)indazol-5-yl]-1-[1-(pyridin-2-ylmethyl)imidazol-2-yl]ethyl]carbamic acid.
What is the SMILES notation for [2-[7-methyl-2-(2-trimethylsilylethoxymethyl)indazol-5-yl]-1-[1-(pyridin-2-ylmethyl)imidazol-2-yl]ethyl]carbamic acid?
The canonical SMILES for [2-[7-methyl-2-(2-trimethylsilylethoxymethyl)indazol-5-yl]-1-[1-(pyridin-2-ylmethyl)imidazol-2-yl]ethyl]carbamic acid is Cc1cc(CC(NC(=O)O)c2nccn2Cc2ccccn2)cc2cn(COCC[Si](C)(C)C)nc12.
What is the InChIKey of [2-[7-methyl-2-(2-trimethylsilylethoxymethyl)indazol-5-yl]-1-[1-(pyridin-2-ylmethyl)imidazol-2-yl]ethyl]carbamic acid?
The InChIKey is YWFKLVCUDPUTKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N6O3Si/c1-19-13-20(14-21-16-32(30-24(19)21)18-35-11-12-36(2,3)4)15-23(29-26(33)34)25-28-9-10-31(25)17-22-7-5-6-8-27-22/h5-10,13-14,16,23,29H,11-12,15,17-18H2,1-4H3,(H,33,34).
What are the key properties of [2-[7-methyl-2-(2-trimethylsilylethoxymethyl)indazol-5-yl]-1-[1-(pyridin-2-ylmethyl)imidazol-2-yl]ethyl]carbamic acid?
[2-[7-methyl-2-(2-trimethylsilylethoxymethyl)indazol-5-yl]-1-[1-(pyridin-2-ylmethyl)imidazol-2-yl]ethyl]carbamic acid has a molecular weight of 506.68 g/mol, XLogP of 4.85, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[7-methyl-2-(2-trimethylsilylethoxymethyl)indazol-5-yl]-1-[1-(pyridin-2-ylmethyl)imidazol-2-yl]ethyl]carbamic acid is sourced from PubChem (CID 69064695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).