4-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)-1H-imidazole-5-carboxylic acid

C12H11N5O3 — CID 116520088

IUPAC4-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)-1H-imidazole-5-carboxylic acid
SMILESCCOc1ccc2[nH]c(-c3nc[nH]c3C(=O)O)nc2n1
InChIInChI=1S/C12H11N5O3/c1-2-20-7-4-3-6-10(16-7)17-11(15-6)8-9(12(18)19)14-5-13-8/h3-5H,2H2,1H3,(H,13,14)(H,18,19)(H,15,16,17)
InChIKeyBYUCEFJYUBMDAX-UHFFFAOYSA-N
MW273.25 g/mol
LogP1.44
Rot. Bonds4

About 4-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)-1H-imidazole-5-carboxylic acid

4-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)-1H-imidazole-5-carboxylic acid (PubChem CID 116520088) has the molecular formula C12H11N5O3 and a molecular weight of 273.25 g/mol. Its IUPAC name is 4-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)-1H-imidazole-5-carboxylic acid.

Molecular Properties

Compound Name4-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)-1H-imidazole-5-carboxylic acid
PubChem CID116520088
Molecular FormulaC12H11N5O3
Molecular Weight273.25 g/mol
Exact Mass273.09
IUPAC Name4-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)-1H-imidazole-5-carboxylic acid
SMILESCCOc1ccc2[nH]c(-c3nc[nH]c3C(=O)O)nc2n1
InChIInChI=1S/C12H11N5O3/c1-2-20-7-4-3-6-10(16-7)17-11(15-6)8-9(12(18)19)14-5-13-8/h3-5H,2H2,1H3,(H,13,14)(H,18,19)(H,15,16,17)
InChIKeyBYUCEFJYUBMDAX-UHFFFAOYSA-N
XLogP1.44
TPSA116.78 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.25
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-(7H-purin-8-yl)-1H-imidazole-5-carboxylic acid
CID 114401826
4-(4-methyl-1H-benzimidazol-2-yl)-1H-imidazole-5-carboxylic acid
CID 136991636
4-(4,5-difluoro-1H-benzimidazol-2-yl)-1H-imidazole-5-carboxylic acid
CID 136999132
5-ethoxy-2-(2,4,6-trimethylphenyl)-1H-imidazo[4,5-b]pyridine
CID 79816768
2-(2,5-difluorophenyl)-5-ethoxy-1H-imidazo[4,5-b]pyridine
CID 79815768
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
2-(2,4-dimethylphenyl)-5-ethoxy-1H-imidazo[4,5-b]pyridine
CID 79815456
2-(5-bromo-2-pyridinyl)-5-ethoxy-1H-imidazo[4,5-b]pyridine
CID 79816067
2-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)cyclopropane-1-carboxylic acid
CID 79815805
2-(2,5-dichlorophenyl)-5-ethoxy-1H-imidazo[4,5-b]pyridine
CID 79816142
4-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)pyridin-2-amine
CID 79816479

Frequently Asked Questions

What is the IUPAC name of 4-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)-1H-imidazole-5-carboxylic acid?
The IUPAC name of 4-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)-1H-imidazole-5-carboxylic acid (CID 116520088) is 4-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)-1H-imidazole-5-carboxylic acid.
What is the SMILES notation for 4-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)-1H-imidazole-5-carboxylic acid?
The canonical SMILES for 4-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)-1H-imidazole-5-carboxylic acid is CCOc1ccc2[nH]c(-c3nc[nH]c3C(=O)O)nc2n1.
What is the InChIKey of 4-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)-1H-imidazole-5-carboxylic acid?
The InChIKey is BYUCEFJYUBMDAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O3/c1-2-20-7-4-3-6-10(16-7)17-11(15-6)8-9(12(18)19)14-5-13-8/h3-5H,2H2,1H3,(H,13,14)(H,18,19)(H,15,16,17).
What are the key properties of 4-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)-1H-imidazole-5-carboxylic acid?
4-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)-1H-imidazole-5-carboxylic acid has a molecular weight of 273.25 g/mol, XLogP of 1.44, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)-1H-imidazole-5-carboxylic acid is sourced from PubChem (CID 116520088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).