tert-butyl-[2-[4-(6-chloro-4-methoxyindol-1-yl)triazol-1-yl]ethoxy]-dimethylsilane

C19H27ClN4O2Si — CID 170550482

IUPACtert-butyl-[2-[4-(6-chloro-4-methoxyindol-1-yl)triazol-1-yl]ethoxy]-dimethylsilane
SMILESCOc1cc(Cl)cc2c1ccn2-c1cn(CCO[Si](C)(C)C(C)(C)C)nn1
InChIInChI=1S/C19H27ClN4O2Si/c1-19(2,3)27(5,6)26-10-9-23-13-18(21-22-23)24-8-7-15-16(24)11-14(20)12-17(15)25-4/h7-8,11-13H,9-10H2,1-6H3
InChIKeyJMMDFLAAVNQJCI-UHFFFAOYSA-N
MW406.99 g/mol
LogP4.91
Rot. Bonds6

About tert-butyl-[2-[4-(6-chloro-4-methoxyindol-1-yl)triazol-1-yl]ethoxy]-dimethylsilane

tert-butyl-[2-[4-(6-chloro-4-methoxyindol-1-yl)triazol-1-yl]ethoxy]-dimethylsilane (PubChem CID 170550482) has the molecular formula C19H27ClN4O2Si and a molecular weight of 406.99 g/mol. Its IUPAC name is tert-butyl-[2-[4-(6-chloro-4-methoxyindol-1-yl)triazol-1-yl]ethoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[2-[4-(6-chloro-4-methoxyindol-1-yl)triazol-1-yl]ethoxy]-dimethylsilane
PubChem CID170550482
Molecular FormulaC19H27ClN4O2Si
Molecular Weight406.99 g/mol
Exact Mass406.16
IUPAC Nametert-butyl-[2-[4-(6-chloro-4-methoxyindol-1-yl)triazol-1-yl]ethoxy]-dimethylsilane
SMILESCOc1cc(Cl)cc2c1ccn2-c1cn(CCO[Si](C)(C)C(C)(C)C)nn1
InChIInChI=1S/C19H27ClN4O2Si/c1-19(2,3)27(5,6)26-10-9-23-13-18(21-22-23)24-8-7-15-16(24)11-14(20)12-17(15)25-4/h7-8,11-13H,9-10H2,1-6H3
InChIKeyJMMDFLAAVNQJCI-UHFFFAOYSA-N
XLogP4.91
TPSA54.10 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.99
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

US20230391786, Example 161
CID 170795241
2-[6-Chloro-7-fluoro-3-imidazol-1-yl-1-(2-trimethylsilylethoxymethyl)indol-4-yl]oxyacetonitrile
CID 170550383
CID 170427791
CID 170427791
Tert-butyl-[2-[4-(6-chloro-3-iodo-4-methoxyindol-1-yl)triazol-1-yl]ethoxy]-dimethylsilane
CID 170550395
Tert-butyl-[2-[4-[6-chloro-4-methoxy-3-[1-(oxan-2-yl)pyrazol-4-yl]indol-1-yl]triazol-1-yl]ethoxy]-dimethylsilane
CID 170550447
Tert-butyl-[2-[4-(6-chloro-5-methoxyindol-1-yl)triazol-1-yl]ethoxy]-dimethylsilane
CID 170550451
Tert-butyl-[2-[4-(6-chloro-3-iodo-5-methoxyindol-1-yl)triazol-1-yl]ethoxy]-dimethylsilane
CID 170550462
1-[1-[2-[Tert-butyl(dimethyl)silyl]oxyethyl]triazol-4-yl]-6,7-dichloroindol-4-ol
CID 170550480
Tert-butyl-[2-[4-[6-chloro-5-methoxy-3-[1-(oxan-2-yl)pyrazol-4-yl]indol-1-yl]triazol-1-yl]ethoxy]-dimethylsilane
CID 170550497
Tert-butyl-[2-[4-(6,7-dichloro-4-phenylmethoxyindol-1-yl)triazol-1-yl]ethoxy]-dimethylsilane
CID 170550512
2-[1-[1-[2-[Tert-butyl(dimethyl)silyl]oxyethyl]triazol-4-yl]-6,7-dichloroindol-4-yl]oxyacetonitrile
CID 170550515
CID 170610042
CID 170610042

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[2-[4-(6-chloro-4-methoxyindol-1-yl)triazol-1-yl]ethoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[2-[4-(6-chloro-4-methoxyindol-1-yl)triazol-1-yl]ethoxy]-dimethylsilane (CID 170550482) is tert-butyl-[2-[4-(6-chloro-4-methoxyindol-1-yl)triazol-1-yl]ethoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[2-[4-(6-chloro-4-methoxyindol-1-yl)triazol-1-yl]ethoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[2-[4-(6-chloro-4-methoxyindol-1-yl)triazol-1-yl]ethoxy]-dimethylsilane is COc1cc(Cl)cc2c1ccn2-c1cn(CCO[Si](C)(C)C(C)(C)C)nn1.
What is the InChIKey of tert-butyl-[2-[4-(6-chloro-4-methoxyindol-1-yl)triazol-1-yl]ethoxy]-dimethylsilane?
The InChIKey is JMMDFLAAVNQJCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27ClN4O2Si/c1-19(2,3)27(5,6)26-10-9-23-13-18(21-22-23)24-8-7-15-16(24)11-14(20)12-17(15)25-4/h7-8,11-13H,9-10H2,1-6H3.
What are the key properties of tert-butyl-[2-[4-(6-chloro-4-methoxyindol-1-yl)triazol-1-yl]ethoxy]-dimethylsilane?
tert-butyl-[2-[4-(6-chloro-4-methoxyindol-1-yl)triazol-1-yl]ethoxy]-dimethylsilane has a molecular weight of 406.99 g/mol, XLogP of 4.91, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[2-[4-(6-chloro-4-methoxyindol-1-yl)triazol-1-yl]ethoxy]-dimethylsilane is sourced from PubChem (CID 170550482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).