methyl 3-amino-6-[2-methyl-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-6-yl]pyridine-2-carboxylate

C20H27N5O3Si — CID 86692086

IUPACmethyl 3-amino-6-[2-methyl-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-6-yl]pyridine-2-carboxylate
SMILESCOC(=O)c1nc(-c2cnc3c(c2)nc(C)n3COCC[Si](C)(C)C)ccc1N
InChIInChI=1S/C20H27N5O3Si/c1-13-23-17-10-14(16-7-6-15(21)18(24-16)20(26)27-2)11-22-19(17)25(13)12-28-8-9-29(3,4)5/h6-7,10-11H,8-9,12,21H2,1-5H3
InChIKeyHDARNEGJKZOQLX-UHFFFAOYSA-N
MW413.55 g/mol
LogP3.48
Rot. Bonds7

About methyl 3-amino-6-[2-methyl-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-6-yl]pyridine-2-carboxylate

methyl 3-amino-6-[2-methyl-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-6-yl]pyridine-2-carboxylate (PubChem CID 86692086) has the molecular formula C20H27N5O3Si and a molecular weight of 413.55 g/mol. Its IUPAC name is methyl 3-amino-6-[2-methyl-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-6-yl]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-6-[2-methyl-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-6-yl]pyridine-2-carboxylate
PubChem CID86692086
Molecular FormulaC20H27N5O3Si
Molecular Weight413.55 g/mol
Exact Mass413.19
IUPAC Namemethyl 3-amino-6-[2-methyl-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-6-yl]pyridine-2-carboxylate
SMILESCOC(=O)c1nc(-c2cnc3c(c2)nc(C)n3COCC[Si](C)(C)C)ccc1N
InChIInChI=1S/C20H27N5O3Si/c1-13-23-17-10-14(16-7-6-15(21)18(24-16)20(26)27-2)11-22-19(17)25(13)12-28-8-9-29(3,4)5/h6-7,10-11H,8-9,12,21H2,1-5H3
InChIKeyHDARNEGJKZOQLX-UHFFFAOYSA-N
XLogP3.48
TPSA105.15 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.55
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze methyl 3-amino-6-[2-methyl-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-6-yl]pyridine-2-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-6-[2-methyl-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-6-yl]pyridine-2-carboxylate?
The IUPAC name of methyl 3-amino-6-[2-methyl-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-6-yl]pyridine-2-carboxylate (CID 86692086) is methyl 3-amino-6-[2-methyl-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-6-yl]pyridine-2-carboxylate.
What is the SMILES notation for methyl 3-amino-6-[2-methyl-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-6-yl]pyridine-2-carboxylate?
The canonical SMILES for methyl 3-amino-6-[2-methyl-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-6-yl]pyridine-2-carboxylate is COC(=O)c1nc(-c2cnc3c(c2)nc(C)n3COCC[Si](C)(C)C)ccc1N.
What is the InChIKey of methyl 3-amino-6-[2-methyl-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-6-yl]pyridine-2-carboxylate?
The InChIKey is HDARNEGJKZOQLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O3Si/c1-13-23-17-10-14(16-7-6-15(21)18(24-16)20(26)27-2)11-22-19(17)25(13)12-28-8-9-29(3,4)5/h6-7,10-11H,8-9,12,21H2,1-5H3.
What are the key properties of methyl 3-amino-6-[2-methyl-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-6-yl]pyridine-2-carboxylate?
methyl 3-amino-6-[2-methyl-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-6-yl]pyridine-2-carboxylate has a molecular weight of 413.55 g/mol, XLogP of 3.48, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-6-[2-methyl-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-6-yl]pyridine-2-carboxylate is sourced from PubChem (CID 86692086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).