5-imidazo[1,2-a]pyridin-3-yl-3-(methoxymethoxy)-4-methylthiophene-2-carboxylic acid

C15H14N2O4S — CID 67429057

IUPAC5-imidazo[1,2-a]pyridin-3-yl-3-(methoxymethoxy)-4-methylthiophene-2-carboxylic acid
SMILESCOCOc1c(C(=O)O)sc(-c2cnc3ccccn23)c1C
InChIInChI=1S/C15H14N2O4S/c1-9-12(21-8-20-2)14(15(18)19)22-13(9)10-7-16-11-5-3-4-6-17(10)11/h3-7H,8H2,1-2H3,(H,18,19)
InChIKeyXXEHGJJLSDPALU-UHFFFAOYSA-N
MW318.35 g/mol
LogP3.05
Rot. Bonds5

About 5-imidazo[1,2-a]pyridin-3-yl-3-(methoxymethoxy)-4-methylthiophene-2-carboxylic acid

5-imidazo[1,2-a]pyridin-3-yl-3-(methoxymethoxy)-4-methylthiophene-2-carboxylic acid (PubChem CID 67429057) has the molecular formula C15H14N2O4S and a molecular weight of 318.35 g/mol. Its IUPAC name is 5-imidazo[1,2-a]pyridin-3-yl-3-(methoxymethoxy)-4-methylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-imidazo[1,2-a]pyridin-3-yl-3-(methoxymethoxy)-4-methylthiophene-2-carboxylic acid
PubChem CID67429057
Molecular FormulaC15H14N2O4S
Molecular Weight318.35 g/mol
Exact Mass318.07
IUPAC Name5-imidazo[1,2-a]pyridin-3-yl-3-(methoxymethoxy)-4-methylthiophene-2-carboxylic acid
SMILESCOCOc1c(C(=O)O)sc(-c2cnc3ccccn23)c1C
InChIInChI=1S/C15H14N2O4S/c1-9-12(21-8-20-2)14(15(18)19)22-13(9)10-7-16-11-5-3-4-6-17(10)11/h3-7H,8H2,1-2H3,(H,18,19)
InChIKeyXXEHGJJLSDPALU-UHFFFAOYSA-N
XLogP3.05
TPSA73.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-imidazo[1,2-a]pyridin-3-yl-3-(methoxymethoxy)-4-methylthiophene-2-carboxylic acid?
The IUPAC name of 5-imidazo[1,2-a]pyridin-3-yl-3-(methoxymethoxy)-4-methylthiophene-2-carboxylic acid (CID 67429057) is 5-imidazo[1,2-a]pyridin-3-yl-3-(methoxymethoxy)-4-methylthiophene-2-carboxylic acid.
What is the SMILES notation for 5-imidazo[1,2-a]pyridin-3-yl-3-(methoxymethoxy)-4-methylthiophene-2-carboxylic acid?
The canonical SMILES for 5-imidazo[1,2-a]pyridin-3-yl-3-(methoxymethoxy)-4-methylthiophene-2-carboxylic acid is COCOc1c(C(=O)O)sc(-c2cnc3ccccn23)c1C.
What is the InChIKey of 5-imidazo[1,2-a]pyridin-3-yl-3-(methoxymethoxy)-4-methylthiophene-2-carboxylic acid?
The InChIKey is XXEHGJJLSDPALU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4S/c1-9-12(21-8-20-2)14(15(18)19)22-13(9)10-7-16-11-5-3-4-6-17(10)11/h3-7H,8H2,1-2H3,(H,18,19).
What are the key properties of 5-imidazo[1,2-a]pyridin-3-yl-3-(methoxymethoxy)-4-methylthiophene-2-carboxylic acid?
5-imidazo[1,2-a]pyridin-3-yl-3-(methoxymethoxy)-4-methylthiophene-2-carboxylic acid has a molecular weight of 318.35 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-imidazo[1,2-a]pyridin-3-yl-3-(methoxymethoxy)-4-methylthiophene-2-carboxylic acid is sourced from PubChem (CID 67429057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).