2-[8-(cyanomethoxy)-2-phenylimidazo[1,2-a]pyridin-3-yl]acetic acid

C17H13N3O3 — CID 94823631

IUPAC2-[8-(cyanomethoxy)-2-phenylimidazo[1,2-a]pyridin-3-yl]acetic acid
SMILESN#CCOc1cccn2c(CC(=O)O)c(-c3ccccc3)nc12
InChIInChI=1S/C17H13N3O3/c18-8-10-23-14-7-4-9-20-13(11-15(21)22)16(19-17(14)20)12-5-2-1-3-6-12/h1-7,9H,10-11H2,(H,21,22)
InChIKeyOQACGDWOUXZQJD-UHFFFAOYSA-N
MW307.31 g/mol
LogP2.53
Rot. Bonds5

About 2-[8-(cyanomethoxy)-2-phenylimidazo[1,2-a]pyridin-3-yl]acetic acid

2-[8-(cyanomethoxy)-2-phenylimidazo[1,2-a]pyridin-3-yl]acetic acid (PubChem CID 94823631) has the molecular formula C17H13N3O3 and a molecular weight of 307.31 g/mol. Its IUPAC name is 2-[8-(cyanomethoxy)-2-phenylimidazo[1,2-a]pyridin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[8-(cyanomethoxy)-2-phenylimidazo[1,2-a]pyridin-3-yl]acetic acid
PubChem CID94823631
Molecular FormulaC17H13N3O3
Molecular Weight307.31 g/mol
Exact Mass307.10
IUPAC Name2-[8-(cyanomethoxy)-2-phenylimidazo[1,2-a]pyridin-3-yl]acetic acid
SMILESN#CCOc1cccn2c(CC(=O)O)c(-c3ccccc3)nc12
InChIInChI=1S/C17H13N3O3/c18-8-10-23-14-7-4-9-20-13(11-15(21)22)16(19-17(14)20)12-5-2-1-3-6-12/h1-7,9H,10-11H2,(H,21,22)
InChIKeyOQACGDWOUXZQJD-UHFFFAOYSA-N
XLogP2.53
TPSA87.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-phenyl-8-propoxyimidazo[1,2-a]pyridin-3-yl)acetic acid
CID 82055757
2-[8-(2-amino-2-oxoethoxy)-2-methylimidazo[1,2-a]pyridin-3-yl]acetic acid
CID 82055736
2-[2-methyl-8-(2-methylprop-2-enoxy)imidazo[1,2-a]pyridin-3-yl]acetic acid
CID 82055750
2-(2-phenyl-8-propoxyimidazo[1,2-a]pyridin-3-yl)ethanamine
CID 82055762
2-(2,7-diphenylimidazo[1,2-a]pyridin-3-yl)acetic acid
CID 175016259
2-(8-fluoro-2-pyridin-2-ylimidazo[1,2-a]pyridin-3-yl)acetic acid
CID 82529255
8-(2-methylprop-2-enoxy)-2-phenylimidazo[1,2-a]pyridine-3-carboxylic acid
CID 93203846
2-[2-(4-methylphenyl)imidazo[1,2-a]pyrimidin-3-yl]acetic acid
CID 82304788
3-bromo-2-(4-methoxyphenyl)-8-phenylmethoxyimidazo[1,2-a]pyridine
CID 101390623
ethyl 2-[(2-phenyl-8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)amino]acetate
CID 42738205
2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]acetic acid
CID 82060205
2-(2-ethylphenoxy)acetonitrile
CID 22688439

Frequently Asked Questions

What is the IUPAC name of 2-[8-(cyanomethoxy)-2-phenylimidazo[1,2-a]pyridin-3-yl]acetic acid?
The IUPAC name of 2-[8-(cyanomethoxy)-2-phenylimidazo[1,2-a]pyridin-3-yl]acetic acid (CID 94823631) is 2-[8-(cyanomethoxy)-2-phenylimidazo[1,2-a]pyridin-3-yl]acetic acid.
What is the SMILES notation for 2-[8-(cyanomethoxy)-2-phenylimidazo[1,2-a]pyridin-3-yl]acetic acid?
The canonical SMILES for 2-[8-(cyanomethoxy)-2-phenylimidazo[1,2-a]pyridin-3-yl]acetic acid is N#CCOc1cccn2c(CC(=O)O)c(-c3ccccc3)nc12.
What is the InChIKey of 2-[8-(cyanomethoxy)-2-phenylimidazo[1,2-a]pyridin-3-yl]acetic acid?
The InChIKey is OQACGDWOUXZQJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O3/c18-8-10-23-14-7-4-9-20-13(11-15(21)22)16(19-17(14)20)12-5-2-1-3-6-12/h1-7,9H,10-11H2,(H,21,22).
What are the key properties of 2-[8-(cyanomethoxy)-2-phenylimidazo[1,2-a]pyridin-3-yl]acetic acid?
2-[8-(cyanomethoxy)-2-phenylimidazo[1,2-a]pyridin-3-yl]acetic acid has a molecular weight of 307.31 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-(cyanomethoxy)-2-phenylimidazo[1,2-a]pyridin-3-yl]acetic acid is sourced from PubChem (CID 94823631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).