2-(4-ethoxyphenyl)imidazo[1,2-a]pyridine-7-carboxylate

C16H13N2O3- — CID 9146653

IUPAC2-(4-ethoxyphenyl)imidazo[1,2-a]pyridine-7-carboxylate
SMILESCCOc1ccc(-c2cn3ccc(C(=O)[O-])cc3n2)cc1
InChIInChI=1S/C16H14N2O3/c1-2-21-13-5-3-11(4-6-13)14-10-18-8-7-12(16(19)20)9-15(18)17-14/h3-10H,2H2,1H3,(H,19,20)/p-1
InChIKeyOOJMJVMLCKQLPP-UHFFFAOYSA-M
MW281.29 g/mol
LogP1.76
Rot. Bonds4

About 2-(4-ethoxyphenyl)imidazo[1,2-a]pyridine-7-carboxylate

2-(4-ethoxyphenyl)imidazo[1,2-a]pyridine-7-carboxylate (PubChem CID 9146653) has the molecular formula C16H13N2O3- and a molecular weight of 281.29 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)imidazo[1,2-a]pyridine-7-carboxylate.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)imidazo[1,2-a]pyridine-7-carboxylate
PubChem CID9146653
Molecular FormulaC16H13N2O3-
Molecular Weight281.29 g/mol
Exact Mass281.09
IUPAC Name2-(4-ethoxyphenyl)imidazo[1,2-a]pyridine-7-carboxylate
SMILESCCOc1ccc(-c2cn3ccc(C(=O)[O-])cc3n2)cc1
InChIInChI=1S/C16H14N2O3/c1-2-21-13-5-3-11(4-6-13)14-10-18-8-7-12(16(19)20)9-15(18)17-14/h3-10H,2H2,1H3,(H,19,20)/p-1
InChIKeyOOJMJVMLCKQLPP-UHFFFAOYSA-M
XLogP1.76
TPSA66.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.29
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-ethoxyphenyl)imidazo[1,2-a]pyridine-7-carboxylic acid
CID 9146654
2-(3-methoxyphenyl)imidazo[1,2-a]pyridine-7-carboxylate
CID 9146642
2-(4-butoxyphenyl)-7-methylimidazo[1,2-a]pyridine
CID 19210007
4-ethoxy-N-[3-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide
CID 121028764
2-(4-butan-2-ylphenyl)imidazo[1,2-a]pyridine-7-carboxylic acid
CID 82357029
4-ethoxy-N-[2-methyl-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzenesulfonamide
CID 23608342
7-bromo-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine
CID 117135502
6-bromo-2-(4-ethoxyphenyl)-5-methylimidazo[1,2-a]pyridine
CID 115403609
2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-7-carboxylic acid
CID 117135507
7-(chloromethyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine
CID 82064434
2-[4-(2-fluoroethoxy)phenyl]-N-methylimidazo[1,2-a]pyridin-7-amine
CID 86282705
2,4-diethoxy-N-[4-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzenesulfonamide
CID 122284832

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)imidazo[1,2-a]pyridine-7-carboxylate?
The IUPAC name of 2-(4-ethoxyphenyl)imidazo[1,2-a]pyridine-7-carboxylate (CID 9146653) is 2-(4-ethoxyphenyl)imidazo[1,2-a]pyridine-7-carboxylate.
What is the SMILES notation for 2-(4-ethoxyphenyl)imidazo[1,2-a]pyridine-7-carboxylate?
The canonical SMILES for 2-(4-ethoxyphenyl)imidazo[1,2-a]pyridine-7-carboxylate is CCOc1ccc(-c2cn3ccc(C(=O)[O-])cc3n2)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)imidazo[1,2-a]pyridine-7-carboxylate?
The InChIKey is OOJMJVMLCKQLPP-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H14N2O3/c1-2-21-13-5-3-11(4-6-13)14-10-18-8-7-12(16(19)20)9-15(18)17-14/h3-10H,2H2,1H3,(H,19,20)/p-1.
What are the key properties of 2-(4-ethoxyphenyl)imidazo[1,2-a]pyridine-7-carboxylate?
2-(4-ethoxyphenyl)imidazo[1,2-a]pyridine-7-carboxylate has a molecular weight of 281.29 g/mol, XLogP of 1.76, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)imidazo[1,2-a]pyridine-7-carboxylate is sourced from PubChem (CID 9146653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).