1-(2-trimethylsilylethynyl)-3H-imidazo[4,5-b]pyridin-2-one

C11H13N3OSi — CID 154242312

IUPAC1-(2-trimethylsilylethynyl)-3H-imidazo[4,5-b]pyridin-2-one
SMILESC[Si](C)(C)C#Cn1c(=O)[nH]c2ncccc21
InChIInChI=1S/C11H13N3OSi/c1-16(2,3)8-7-14-9-5-4-6-12-10(9)13-11(14)15/h4-6H,1-3H3,(H,12,13,15)
InChIKeyHYHHYMWCWSEUNJ-UHFFFAOYSA-N
MW231.33 g/mol
LogP1.41
Rot. Bonds

About 1-(2-trimethylsilylethynyl)-3H-imidazo[4,5-b]pyridin-2-one

1-(2-trimethylsilylethynyl)-3H-imidazo[4,5-b]pyridin-2-one (PubChem CID 154242312) has the molecular formula C11H13N3OSi and a molecular weight of 231.33 g/mol. Its IUPAC name is 1-(2-trimethylsilylethynyl)-3H-imidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name1-(2-trimethylsilylethynyl)-3H-imidazo[4,5-b]pyridin-2-one
PubChem CID154242312
Molecular FormulaC11H13N3OSi
Molecular Weight231.33 g/mol
Exact Mass231.08
IUPAC Name1-(2-trimethylsilylethynyl)-3H-imidazo[4,5-b]pyridin-2-one
SMILESC[Si](C)(C)C#Cn1c(=O)[nH]c2ncccc21
InChIInChI=1S/C11H13N3OSi/c1-16(2,3)8-7-14-9-5-4-6-12-10(9)13-11(14)15/h4-6H,1-3H3,(H,12,13,15)
InChIKeyHYHHYMWCWSEUNJ-UHFFFAOYSA-N
XLogP1.41
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.33
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-3H-imidazo[4,5-b]pyridin-2-one;dihydrochloride
CID 141325245
1-(methyldisulfanyl)-3H-imidazo[4,5-b]pyridin-2-one
CID 149126785
1-(1,2,3,6-tetrahydropyridin-4-yl)-3H-imidazo[4,5-b]pyridin-2-one
CID 163602152
ethane;1-(1-methylpiperidin-4-yl)-3H-imidazo[4,5-b]pyridin-2-one
CID 143218186
1-(3-hydroxycyclobutyl)-3H-imidazo[4,5-b]pyridin-2-one
CID 175822352
ethane;4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbaldehyde
CID 142441053
potassium 1-(1-oxidopiperidin-4-yl)-3H-imidazo[4,5-b]pyridin-2-one
CID 145302216
ethyl 4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxylate
CID 24885297
1-(azepan-4-yl)-3H-imidazo[4,5-b]pyridin-2-one
CID 170742162
methyl 4-[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidin-1-yl]piperidine-1-carboxylate
CID 22745299
6-(2-trimethylsilylethynyl)-1H-pyrimidin-2-one
CID 22619750
1-[(3-nitrophenyl)methyl]-3H-imidazo[4,5-b]pyridin-2-one
CID 83290800

Frequently Asked Questions

What is the IUPAC name of 1-(2-trimethylsilylethynyl)-3H-imidazo[4,5-b]pyridin-2-one?
The IUPAC name of 1-(2-trimethylsilylethynyl)-3H-imidazo[4,5-b]pyridin-2-one (CID 154242312) is 1-(2-trimethylsilylethynyl)-3H-imidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 1-(2-trimethylsilylethynyl)-3H-imidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 1-(2-trimethylsilylethynyl)-3H-imidazo[4,5-b]pyridin-2-one is C[Si](C)(C)C#Cn1c(=O)[nH]c2ncccc21.
What is the InChIKey of 1-(2-trimethylsilylethynyl)-3H-imidazo[4,5-b]pyridin-2-one?
The InChIKey is HYHHYMWCWSEUNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3OSi/c1-16(2,3)8-7-14-9-5-4-6-12-10(9)13-11(14)15/h4-6H,1-3H3,(H,12,13,15).
What are the key properties of 1-(2-trimethylsilylethynyl)-3H-imidazo[4,5-b]pyridin-2-one?
1-(2-trimethylsilylethynyl)-3H-imidazo[4,5-b]pyridin-2-one has a molecular weight of 231.33 g/mol, XLogP of 1.41, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-trimethylsilylethynyl)-3H-imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 154242312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).