3-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)benzonitrile

C15H12N4O — CID 79815989

IUPAC3-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)benzonitrile
SMILESCCOc1ccc2[nH]c(-c3cccc(C#N)c3)nc2n1
InChIInChI=1S/C15H12N4O/c1-2-20-13-7-6-12-15(18-13)19-14(17-12)11-5-3-4-10(8-11)9-16/h3-8H,2H2,1H3,(H,17,18,19)
InChIKeyNLACCTIEHLITPX-UHFFFAOYSA-N
MW264.29 g/mol
LogP2.90
Rot. Bonds3

About 3-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)benzonitrile

3-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)benzonitrile (PubChem CID 79815989) has the molecular formula C15H12N4O and a molecular weight of 264.29 g/mol. Its IUPAC name is 3-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)benzonitrile.

Molecular Properties

Compound Name3-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)benzonitrile
PubChem CID79815989
Molecular FormulaC15H12N4O
Molecular Weight264.29 g/mol
Exact Mass264.10
IUPAC Name3-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)benzonitrile
SMILESCCOc1ccc2[nH]c(-c3cccc(C#N)c3)nc2n1
InChIInChI=1S/C15H12N4O/c1-2-20-13-7-6-12-15(18-13)19-14(17-12)11-5-3-4-10(8-11)9-16/h3-8H,2H2,1H3,(H,17,18,19)
InChIKeyNLACCTIEHLITPX-UHFFFAOYSA-N
XLogP2.90
TPSA74.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)pyridin-2-amine
CID 79816479
5-ethoxy-2-(6-methyl-3-pyridinyl)-1H-imidazo[4,5-b]pyridine
CID 79815692
5-ethoxy-2-(5-fluoro-3-pyridinyl)-1H-imidazo[4,5-b]pyridine
CID 104786102
5-ethoxy-2-(2,4,6-trimethylphenyl)-1H-imidazo[4,5-b]pyridine
CID 79816768
2-(2,4-dimethylphenyl)-5-ethoxy-1H-imidazo[4,5-b]pyridine
CID 79815456
2-(2,5-dichlorophenyl)-5-ethoxy-1H-imidazo[4,5-b]pyridine
CID 79816142
2-(2,5-difluorophenyl)-5-ethoxy-1H-imidazo[4,5-b]pyridine
CID 79815768
2-(5-bromo-2-pyridinyl)-5-ethoxy-1H-imidazo[4,5-b]pyridine
CID 79816067
5-ethoxy-2-(4-methoxythiophen-2-yl)-1H-imidazo[4,5-b]pyridine
CID 81121622
5-bromo-2-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)aniline
CID 79816047
4-bromo-3-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)aniline
CID 115296290
3-(4-phenyl-1H-benzimidazol-2-yl)benzonitrile
CID 67701841

Frequently Asked Questions

What is the IUPAC name of 3-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)benzonitrile?
The IUPAC name of 3-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)benzonitrile (CID 79815989) is 3-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)benzonitrile.
What is the SMILES notation for 3-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)benzonitrile?
The canonical SMILES for 3-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)benzonitrile is CCOc1ccc2[nH]c(-c3cccc(C#N)c3)nc2n1.
What is the InChIKey of 3-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)benzonitrile?
The InChIKey is NLACCTIEHLITPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O/c1-2-20-13-7-6-12-15(18-13)19-14(17-12)11-5-3-4-10(8-11)9-16/h3-8H,2H2,1H3,(H,17,18,19).
What are the key properties of 3-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)benzonitrile?
3-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)benzonitrile has a molecular weight of 264.29 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)benzonitrile is sourced from PubChem (CID 79815989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).