methyl 2-chloro-1-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridine-7-carboxylate

C14H20ClN3O3Si — CID 140752402

IUPACmethyl 2-chloro-1-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridine-7-carboxylate
SMILESCOC(=O)c1ccnc2nc(Cl)n(COCC[Si](C)(C)C)c12
InChIInChI=1S/C14H20ClN3O3Si/c1-20-13(19)10-5-6-16-12-11(10)18(14(15)17-12)9-21-7-8-22(2,3)4/h5-6H,7-9H2,1-4H3
InChIKeyZSSQOIYRFVQYKG-UHFFFAOYSA-N
MW341.87 g/mol
LogP3.18
Rot. Bonds6

About methyl 2-chloro-1-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridine-7-carboxylate

methyl 2-chloro-1-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridine-7-carboxylate (PubChem CID 140752402) has the molecular formula C14H20ClN3O3Si and a molecular weight of 341.87 g/mol. Its IUPAC name is methyl 2-chloro-1-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridine-7-carboxylate.

Molecular Properties

Compound Namemethyl 2-chloro-1-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridine-7-carboxylate
PubChem CID140752402
Molecular FormulaC14H20ClN3O3Si
Molecular Weight341.87 g/mol
Exact Mass341.10
IUPAC Namemethyl 2-chloro-1-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridine-7-carboxylate
SMILESCOC(=O)c1ccnc2nc(Cl)n(COCC[Si](C)(C)C)c12
InChIInChI=1S/C14H20ClN3O3Si/c1-20-13(19)10-5-6-16-12-11(10)18(14(15)17-12)9-21-7-8-22(2,3)4/h5-6H,7-9H2,1-4H3
InChIKeyZSSQOIYRFVQYKG-UHFFFAOYSA-N
XLogP3.18
TPSA66.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.87
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze methyl 2-chloro-1-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridine-7-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 1-(2-trimethylsilylethoxymethyl)indazole-7-carboxylate
CID 167405141
4-(3-bromophenyl)-3-[2-chloro-1-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-7-yl]-1,2,4-oxadiazol-5-one
CID 140863097
ethyl 7-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridine-2-carboxylate
CID 166476125
ethyl 2-chloro-6,7-difluoro-3-(2-trimethylsilylethoxymethyl)benzimidazole-4-carboxylate
CID 145190736
methyl 6-(4-formylphenoxy)-2-pyridin-2-yl-1-(2-trimethylsilylethoxymethyl)benzimidazole-5-carboxylate
CID 87272387
methyl 4-bromo-2-(2-trimethylsilylethoxymethyl)indazole-7-carboxylate
CID 166173802
methyl 4-[[2-methyl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]sulfonimidoyl]benzoate
CID 168792695
methyl 6-[(6-ethylsulfonyl-3-pyridinyl)oxy]-2-pyrazin-2-yl-3-(2-trimethylsilylethoxymethyl)benzimidazole-4-carboxylate
CID 57433629
ethyl 3,4-dichloro-7-methoxy-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridine-2-carboxylate
CID 171623271
2-methyl-3-(2-trimethylsilylethoxymethyl)imidazole-4-carboxylic acid
CID 166022930
methyl 5-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-4-yl]-2-(2-chloro-4-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)pyrrole-3-carboxylate
CID 165391816
methyl 6-amino-1-(2-trimethylsilylethoxymethyl)benzimidazole-5-carboxylate
CID 169304257

Frequently Asked Questions

What is the IUPAC name of methyl 2-chloro-1-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridine-7-carboxylate?
The IUPAC name of methyl 2-chloro-1-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridine-7-carboxylate (CID 140752402) is methyl 2-chloro-1-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridine-7-carboxylate.
What is the SMILES notation for methyl 2-chloro-1-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridine-7-carboxylate?
The canonical SMILES for methyl 2-chloro-1-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridine-7-carboxylate is COC(=O)c1ccnc2nc(Cl)n(COCC[Si](C)(C)C)c12.
What is the InChIKey of methyl 2-chloro-1-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridine-7-carboxylate?
The InChIKey is ZSSQOIYRFVQYKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O3Si/c1-20-13(19)10-5-6-16-12-11(10)18(14(15)17-12)9-21-7-8-22(2,3)4/h5-6H,7-9H2,1-4H3.
What are the key properties of methyl 2-chloro-1-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridine-7-carboxylate?
methyl 2-chloro-1-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridine-7-carboxylate has a molecular weight of 341.87 g/mol, XLogP of 3.18, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-chloro-1-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridine-7-carboxylate is sourced from PubChem (CID 140752402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).