3-[6-chloro-2-(2-ethoxyphenyl)imidazo[1,2-a]pyridin-3-yl]propanoic acid

C18H17ClN2O3 — CID 39195789

IUPAC3-[6-chloro-2-(2-ethoxyphenyl)imidazo[1,2-a]pyridin-3-yl]propanoic acid
SMILESCCOc1ccccc1-c1nc2ccc(Cl)cn2c1CCC(=O)O
InChIInChI=1S/C18H17ClN2O3/c1-2-24-15-6-4-3-5-13(15)18-14(8-10-17(22)23)21-11-12(19)7-9-16(21)20-18/h3-7,9,11H,2,8,10H2,1H3,(H,22,23)
InChIKeyLNXVXAARLBNSAS-UHFFFAOYSA-N
MW344.80 g/mol
LogP4.07
Rot. Bonds6

About 3-[6-chloro-2-(2-ethoxyphenyl)imidazo[1,2-a]pyridin-3-yl]propanoic acid

3-[6-chloro-2-(2-ethoxyphenyl)imidazo[1,2-a]pyridin-3-yl]propanoic acid (PubChem CID 39195789) has the molecular formula C18H17ClN2O3 and a molecular weight of 344.80 g/mol. Its IUPAC name is 3-[6-chloro-2-(2-ethoxyphenyl)imidazo[1,2-a]pyridin-3-yl]propanoic acid.

Molecular Properties

Compound Name3-[6-chloro-2-(2-ethoxyphenyl)imidazo[1,2-a]pyridin-3-yl]propanoic acid
PubChem CID39195789
Molecular FormulaC18H17ClN2O3
Molecular Weight344.80 g/mol
Exact Mass344.09
IUPAC Name3-[6-chloro-2-(2-ethoxyphenyl)imidazo[1,2-a]pyridin-3-yl]propanoic acid
SMILESCCOc1ccccc1-c1nc2ccc(Cl)cn2c1CCC(=O)O
InChIInChI=1S/C18H17ClN2O3/c1-2-24-15-6-4-3-5-13(15)18-14(8-10-17(22)23)21-11-12(19)7-9-16(21)20-18/h3-7,9,11H,2,8,10H2,1H3,(H,22,23)
InChIKeyLNXVXAARLBNSAS-UHFFFAOYSA-N
XLogP4.07
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.80
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[6-chloro-2-(2-ethoxyphenyl)imidazo[1,2-a]pyridin-3-yl]propanoic acid?
The IUPAC name of 3-[6-chloro-2-(2-ethoxyphenyl)imidazo[1,2-a]pyridin-3-yl]propanoic acid (CID 39195789) is 3-[6-chloro-2-(2-ethoxyphenyl)imidazo[1,2-a]pyridin-3-yl]propanoic acid.
What is the SMILES notation for 3-[6-chloro-2-(2-ethoxyphenyl)imidazo[1,2-a]pyridin-3-yl]propanoic acid?
The canonical SMILES for 3-[6-chloro-2-(2-ethoxyphenyl)imidazo[1,2-a]pyridin-3-yl]propanoic acid is CCOc1ccccc1-c1nc2ccc(Cl)cn2c1CCC(=O)O.
What is the InChIKey of 3-[6-chloro-2-(2-ethoxyphenyl)imidazo[1,2-a]pyridin-3-yl]propanoic acid?
The InChIKey is LNXVXAARLBNSAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O3/c1-2-24-15-6-4-3-5-13(15)18-14(8-10-17(22)23)21-11-12(19)7-9-16(21)20-18/h3-7,9,11H,2,8,10H2,1H3,(H,22,23).
What are the key properties of 3-[6-chloro-2-(2-ethoxyphenyl)imidazo[1,2-a]pyridin-3-yl]propanoic acid?
3-[6-chloro-2-(2-ethoxyphenyl)imidazo[1,2-a]pyridin-3-yl]propanoic acid has a molecular weight of 344.80 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-chloro-2-(2-ethoxyphenyl)imidazo[1,2-a]pyridin-3-yl]propanoic acid is sourced from PubChem (CID 39195789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).