2-[6-methyl-2-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridin-3-yl]acetic acid

C15H14N2O2S — CID 13259022

IUPAC2-[6-methyl-2-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridin-3-yl]acetic acid
SMILESCc1ccc2nc(-c3ccc(C)s3)c(CC(=O)O)n2c1
InChIInChI=1S/C15H14N2O2S/c1-9-3-6-13-16-15(12-5-4-10(2)20-12)11(7-14(18)19)17(13)8-9/h3-6,8H,7H2,1-2H3,(H,18,19)
InChIKeyXOCFCRHNRQRTMB-UHFFFAOYSA-N
MW286.36 g/mol
LogP3.31
Rot. Bonds3

About 2-[6-methyl-2-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridin-3-yl]acetic acid

2-[6-methyl-2-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridin-3-yl]acetic acid (PubChem CID 13259022) has the molecular formula C15H14N2O2S and a molecular weight of 286.36 g/mol. Its IUPAC name is 2-[6-methyl-2-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[6-methyl-2-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridin-3-yl]acetic acid
PubChem CID13259022
Molecular FormulaC15H14N2O2S
Molecular Weight286.36 g/mol
Exact Mass286.08
IUPAC Name2-[6-methyl-2-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridin-3-yl]acetic acid
SMILESCc1ccc2nc(-c3ccc(C)s3)c(CC(=O)O)n2c1
InChIInChI=1S/C15H14N2O2S/c1-9-3-6-13-16-15(12-5-4-10(2)20-12)11(7-14(18)19)17(13)8-9/h3-6,8H,7H2,1-2H3,(H,18,19)
InChIKeyXOCFCRHNRQRTMB-UHFFFAOYSA-N
XLogP3.31
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[6-methyl-2-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridin-3-yl]acetic acid?
The IUPAC name of 2-[6-methyl-2-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridin-3-yl]acetic acid (CID 13259022) is 2-[6-methyl-2-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridin-3-yl]acetic acid.
What is the SMILES notation for 2-[6-methyl-2-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridin-3-yl]acetic acid?
The canonical SMILES for 2-[6-methyl-2-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridin-3-yl]acetic acid is Cc1ccc2nc(-c3ccc(C)s3)c(CC(=O)O)n2c1.
What is the InChIKey of 2-[6-methyl-2-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridin-3-yl]acetic acid?
The InChIKey is XOCFCRHNRQRTMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2S/c1-9-3-6-13-16-15(12-5-4-10(2)20-12)11(7-14(18)19)17(13)8-9/h3-6,8H,7H2,1-2H3,(H,18,19).
What are the key properties of 2-[6-methyl-2-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridin-3-yl]acetic acid?
2-[6-methyl-2-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridin-3-yl]acetic acid has a molecular weight of 286.36 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-methyl-2-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridin-3-yl]acetic acid is sourced from PubChem (CID 13259022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).