methyl 1-(2-trimethylsilylethoxymethyl)indazole-7-carboxylate

C15H22N2O3Si — CID 167405141

IUPACmethyl 1-(2-trimethylsilylethoxymethyl)indazole-7-carboxylate
SMILESCOC(=O)c1cccc2cnn(COCC[Si](C)(C)C)c12
InChIInChI=1S/C15H22N2O3Si/c1-19-15(18)13-7-5-6-12-10-16-17(14(12)13)11-20-8-9-21(2,3)4/h5-7,10H,8-9,11H2,1-4H3
InChIKeySZIUGPZZDWPBHT-UHFFFAOYSA-N
MW306.44 g/mol
LogP3.14
Rot. Bonds6

About methyl 1-(2-trimethylsilylethoxymethyl)indazole-7-carboxylate

methyl 1-(2-trimethylsilylethoxymethyl)indazole-7-carboxylate (PubChem CID 167405141) has the molecular formula C15H22N2O3Si and a molecular weight of 306.44 g/mol. Its IUPAC name is methyl 1-(2-trimethylsilylethoxymethyl)indazole-7-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-trimethylsilylethoxymethyl)indazole-7-carboxylate
PubChem CID167405141
Molecular FormulaC15H22N2O3Si
Molecular Weight306.44 g/mol
Exact Mass306.14
IUPAC Namemethyl 1-(2-trimethylsilylethoxymethyl)indazole-7-carboxylate
SMILESCOC(=O)c1cccc2cnn(COCC[Si](C)(C)C)c12
InChIInChI=1S/C15H22N2O3Si/c1-19-15(18)13-7-5-6-12-10-16-17(14(12)13)11-20-8-9-21(2,3)4/h5-7,10H,8-9,11H2,1-4H3
InChIKeySZIUGPZZDWPBHT-UHFFFAOYSA-N
XLogP3.14
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.44
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

3-[1-(2-trimethylsilylethoxymethyl)indazol-7-yl]benzoic acid
CID 166022038
N-[1-(2-trimethylsilylethoxymethyl)indazol-7-yl]pyridine-3-carboxamide
CID 171501872
methyl 5-nitro-1-(2-trimethylsilylethoxymethyl)pyrazole-4-carboxylate
CID 166058271
trimethyl-[2-[[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl]silane
CID 71280066
methyl 2-chloro-1-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridine-7-carboxylate
CID 140752402
methyl 1-[dideuterio-(2,3-difluorophenyl)methyl]indazole-7-carboxylate
CID 155665092
methyl 1-ethynylindazole-7-carboxylate
CID 152655100
5-bromo-1-(2-trimethylsilylethoxymethyl)indazole-6-carboxylic acid
CID 153498713
1-(2-trimethylsilylethoxymethyl)indazole-5-carboxylic acid
CID 156717889
(1R)-1-[1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-c]pyridin-7-yl]ethanamine
CID 178027402
N-(4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl)-1-methyl-3-[1-(2-trimethylsilylethoxymethyl)indazol-7-yl]pyrazole-4-carboxamide
CID 155764873
2-[(7-bromopyrazolo[4,3-c]pyridin-1-yl)methoxy]ethyl-trimethylsilane
CID 140869978

Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-trimethylsilylethoxymethyl)indazole-7-carboxylate?
The IUPAC name of methyl 1-(2-trimethylsilylethoxymethyl)indazole-7-carboxylate (CID 167405141) is methyl 1-(2-trimethylsilylethoxymethyl)indazole-7-carboxylate.
What is the SMILES notation for methyl 1-(2-trimethylsilylethoxymethyl)indazole-7-carboxylate?
The canonical SMILES for methyl 1-(2-trimethylsilylethoxymethyl)indazole-7-carboxylate is COC(=O)c1cccc2cnn(COCC[Si](C)(C)C)c12.
What is the InChIKey of methyl 1-(2-trimethylsilylethoxymethyl)indazole-7-carboxylate?
The InChIKey is SZIUGPZZDWPBHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3Si/c1-19-15(18)13-7-5-6-12-10-16-17(14(12)13)11-20-8-9-21(2,3)4/h5-7,10H,8-9,11H2,1-4H3.
What are the key properties of methyl 1-(2-trimethylsilylethoxymethyl)indazole-7-carboxylate?
methyl 1-(2-trimethylsilylethoxymethyl)indazole-7-carboxylate has a molecular weight of 306.44 g/mol, XLogP of 3.14, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-trimethylsilylethoxymethyl)indazole-7-carboxylate is sourced from PubChem (CID 167405141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).