2-methoxy-7-(trifluoromethyl)-3-(2-trimethylsilylethoxymethyl)-5H-imidazo[4,5-c]pyridin-4-one

C14H20F3N3O3Si — CID 176724201

IUPAC2-methoxy-7-(trifluoromethyl)-3-(2-trimethylsilylethoxymethyl)-5H-imidazo[4,5-c]pyridin-4-one
SMILESCOc1nc2c(C(F)(F)F)c[nH]c(=O)c2n1COCC[Si](C)(C)C
InChIInChI=1S/C14H20F3N3O3Si/c1-22-13-19-10-9(14(15,16)17)7-18-12(21)11(10)20(13)8-23-5-6-24(2,3)4/h7H,5-6,8H2,1-4H3,(H,18,21)
InChIKeyIHTRTIYVIZVZGJ-UHFFFAOYSA-N
MW363.41 g/mol
LogP3.06
Rot. Bonds6

About 2-methoxy-7-(trifluoromethyl)-3-(2-trimethylsilylethoxymethyl)-5H-imidazo[4,5-c]pyridin-4-one

2-methoxy-7-(trifluoromethyl)-3-(2-trimethylsilylethoxymethyl)-5H-imidazo[4,5-c]pyridin-4-one (PubChem CID 176724201) has the molecular formula C14H20F3N3O3Si and a molecular weight of 363.41 g/mol. Its IUPAC name is 2-methoxy-7-(trifluoromethyl)-3-(2-trimethylsilylethoxymethyl)-5H-imidazo[4,5-c]pyridin-4-one.

Molecular Properties

Compound Name2-methoxy-7-(trifluoromethyl)-3-(2-trimethylsilylethoxymethyl)-5H-imidazo[4,5-c]pyridin-4-one
PubChem CID176724201
Molecular FormulaC14H20F3N3O3Si
Molecular Weight363.41 g/mol
Exact Mass363.12
IUPAC Name2-methoxy-7-(trifluoromethyl)-3-(2-trimethylsilylethoxymethyl)-5H-imidazo[4,5-c]pyridin-4-one
SMILESCOc1nc2c(C(F)(F)F)c[nH]c(=O)c2n1COCC[Si](C)(C)C
InChIInChI=1S/C14H20F3N3O3Si/c1-22-13-19-10-9(14(15,16)17)7-18-12(21)11(10)20(13)8-23-5-6-24(2,3)4/h7H,5-6,8H2,1-4H3,(H,18,21)
InChIKeyIHTRTIYVIZVZGJ-UHFFFAOYSA-N
XLogP3.06
TPSA69.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-methoxy-7-(trifluoromethyl)-3-(2-trimethylsilylethoxymethyl)-5H-imidazo[4,5-c]pyridin-4-one 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 2-methoxy-7-(trifluoromethyl)-3-(2-trimethylsilylethoxymethyl)-5H-imidazo[4,5-c]pyridin-4-one?
The IUPAC name of 2-methoxy-7-(trifluoromethyl)-3-(2-trimethylsilylethoxymethyl)-5H-imidazo[4,5-c]pyridin-4-one (CID 176724201) is 2-methoxy-7-(trifluoromethyl)-3-(2-trimethylsilylethoxymethyl)-5H-imidazo[4,5-c]pyridin-4-one.
What is the SMILES notation for 2-methoxy-7-(trifluoromethyl)-3-(2-trimethylsilylethoxymethyl)-5H-imidazo[4,5-c]pyridin-4-one?
The canonical SMILES for 2-methoxy-7-(trifluoromethyl)-3-(2-trimethylsilylethoxymethyl)-5H-imidazo[4,5-c]pyridin-4-one is COc1nc2c(C(F)(F)F)c[nH]c(=O)c2n1COCC[Si](C)(C)C.
What is the InChIKey of 2-methoxy-7-(trifluoromethyl)-3-(2-trimethylsilylethoxymethyl)-5H-imidazo[4,5-c]pyridin-4-one?
The InChIKey is IHTRTIYVIZVZGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N3O3Si/c1-22-13-19-10-9(14(15,16)17)7-18-12(21)11(10)20(13)8-23-5-6-24(2,3)4/h7H,5-6,8H2,1-4H3,(H,18,21).
What are the key properties of 2-methoxy-7-(trifluoromethyl)-3-(2-trimethylsilylethoxymethyl)-5H-imidazo[4,5-c]pyridin-4-one?
2-methoxy-7-(trifluoromethyl)-3-(2-trimethylsilylethoxymethyl)-5H-imidazo[4,5-c]pyridin-4-one has a molecular weight of 363.41 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-7-(trifluoromethyl)-3-(2-trimethylsilylethoxymethyl)-5H-imidazo[4,5-c]pyridin-4-one is sourced from PubChem (CID 176724201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).