4-bromo-3-methyl-1-(2-trimethylsilylethoxymethyl)indole-7-carboxamide

C16H23BrN2O2Si — CID 131747440

IUPAC4-bromo-3-methyl-1-(2-trimethylsilylethoxymethyl)indole-7-carboxamide
SMILESCc1cn(COCC[Si](C)(C)C)c2c(C(N)=O)ccc(Br)c12
InChIInChI=1S/C16H23BrN2O2Si/c1-11-9-19(10-21-7-8-22(2,3)4)15-12(16(18)20)5-6-13(17)14(11)15/h5-6,9H,7-8,10H2,1-4H3,(H2,18,20)
InChIKeyGRWOXXQVPXMPMN-UHFFFAOYSA-N
MW383.36 g/mol
LogP4.12
Rot. Bonds6

About 4-bromo-3-methyl-1-(2-trimethylsilylethoxymethyl)indole-7-carboxamide

4-bromo-3-methyl-1-(2-trimethylsilylethoxymethyl)indole-7-carboxamide (PubChem CID 131747440) has the molecular formula C16H23BrN2O2Si and a molecular weight of 383.36 g/mol. Its IUPAC name is 4-bromo-3-methyl-1-(2-trimethylsilylethoxymethyl)indole-7-carboxamide.

Molecular Properties

Compound Name4-bromo-3-methyl-1-(2-trimethylsilylethoxymethyl)indole-7-carboxamide
PubChem CID131747440
Molecular FormulaC16H23BrN2O2Si
Molecular Weight383.36 g/mol
Exact Mass382.07
IUPAC Name4-bromo-3-methyl-1-(2-trimethylsilylethoxymethyl)indole-7-carboxamide
SMILESCc1cn(COCC[Si](C)(C)C)c2c(C(N)=O)ccc(Br)c12
InChIInChI=1S/C16H23BrN2O2Si/c1-11-9-19(10-21-7-8-22(2,3)4)15-12(16(18)20)5-6-13(17)14(11)15/h5-6,9H,7-8,10H2,1-4H3,(H2,18,20)
InChIKeyGRWOXXQVPXMPMN-UHFFFAOYSA-N
XLogP4.12
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.36
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxamide
CID 140827014
2-bromo-1-[4-bromo-3-methyl-1-(2-trimethylsilylethoxymethyl)indol-7-yl]ethanone;[(2S)-2-[2-[4-bromo-3-methyl-1-(2-trimethylsilylethoxymethyl)indol-7-yl]-2-oxoethoxy]carbonylpyrrolidin-1-yl]-methylborinic acid;(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 159814077
methyl 4-bromo-2-(2-trimethylsilylethoxymethyl)indazole-7-carboxylate
CID 166173802
4-bromo-5-fluoro-2-methyl-1-(2-trimethylsilylethoxymethyl)indole-7-carboxamide
CID 170781316
2-[(3-bromo-7-methoxypyrrolo[2,3-c]pyridin-1-yl)methoxy]ethyl-trimethylsilane
CID 141388912
methyl 2-[4-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]acetate
CID 140891564
1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxamide
CID 68592326
2-[[2-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]methylamino]-4-(trifluoromethyl)benzamide
CID 162388348
4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carboxamide
CID 71258387
2-chloro-5-methyl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 133061792
4,6-dibromo-2-(2-trimethylsilylethoxymethyl)isoquinolin-1-one
CID 140829624
ethyl 2-[3-bromo-4-oxo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyridazin-1-yl]acetate
CID 165392709

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-methyl-1-(2-trimethylsilylethoxymethyl)indole-7-carboxamide?
The IUPAC name of 4-bromo-3-methyl-1-(2-trimethylsilylethoxymethyl)indole-7-carboxamide (CID 131747440) is 4-bromo-3-methyl-1-(2-trimethylsilylethoxymethyl)indole-7-carboxamide.
What is the SMILES notation for 4-bromo-3-methyl-1-(2-trimethylsilylethoxymethyl)indole-7-carboxamide?
The canonical SMILES for 4-bromo-3-methyl-1-(2-trimethylsilylethoxymethyl)indole-7-carboxamide is Cc1cn(COCC[Si](C)(C)C)c2c(C(N)=O)ccc(Br)c12.
What is the InChIKey of 4-bromo-3-methyl-1-(2-trimethylsilylethoxymethyl)indole-7-carboxamide?
The InChIKey is GRWOXXQVPXMPMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2O2Si/c1-11-9-19(10-21-7-8-22(2,3)4)15-12(16(18)20)5-6-13(17)14(11)15/h5-6,9H,7-8,10H2,1-4H3,(H2,18,20).
What are the key properties of 4-bromo-3-methyl-1-(2-trimethylsilylethoxymethyl)indole-7-carboxamide?
4-bromo-3-methyl-1-(2-trimethylsilylethoxymethyl)indole-7-carboxamide has a molecular weight of 383.36 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-methyl-1-(2-trimethylsilylethoxymethyl)indole-7-carboxamide is sourced from PubChem (CID 131747440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).