8-(3-carboxy-5-ethylpyrazol-1-yl)-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylic acid

C19H16N4O4S — CID 118168206

IUPAC8-(3-carboxy-5-ethylpyrazol-1-yl)-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylic acid
SMILESCCc1cc(C(=O)O)nn1-c1cc(C(=O)O)cn2c(-c3ccc(C)s3)cnc12
InChIInChI=1S/C19H16N4O4S/c1-3-12-7-13(19(26)27)21-23(12)14-6-11(18(24)25)9-22-15(8-20-17(14)22)16-5-4-10(2)28-16/h4-9H,3H2,1-2H3,(H,24,25)(H,26,27)
InChIKeyAGCRYROPMYWSMN-UHFFFAOYSA-N
MW396.43 g/mol
LogP3.52
Rot. Bonds5

About 8-(3-carboxy-5-ethylpyrazol-1-yl)-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylic acid

8-(3-carboxy-5-ethylpyrazol-1-yl)-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylic acid (PubChem CID 118168206) has the molecular formula C19H16N4O4S and a molecular weight of 396.43 g/mol. Its IUPAC name is 8-(3-carboxy-5-ethylpyrazol-1-yl)-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name8-(3-carboxy-5-ethylpyrazol-1-yl)-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylic acid
PubChem CID118168206
Molecular FormulaC19H16N4O4S
Molecular Weight396.43 g/mol
Exact Mass396.09
IUPAC Name8-(3-carboxy-5-ethylpyrazol-1-yl)-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylic acid
SMILESCCc1cc(C(=O)O)nn1-c1cc(C(=O)O)cn2c(-c3ccc(C)s3)cnc12
InChIInChI=1S/C19H16N4O4S/c1-3-12-7-13(19(26)27)21-23(12)14-6-11(18(24)25)9-22-15(8-20-17(14)22)16-5-4-10(2)28-16/h4-9H,3H2,1-2H3,(H,24,25)(H,26,27)
InChIKeyAGCRYROPMYWSMN-UHFFFAOYSA-N
XLogP3.52
TPSA109.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.43
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 8-(3-carboxy-5-ethylpyrazol-1-yl)-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-(3-carboxy-5-ethylpyrazol-1-yl)-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylic acid?
The IUPAC name of 8-(3-carboxy-5-ethylpyrazol-1-yl)-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylic acid (CID 118168206) is 8-(3-carboxy-5-ethylpyrazol-1-yl)-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylic acid.
What is the SMILES notation for 8-(3-carboxy-5-ethylpyrazol-1-yl)-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylic acid?
The canonical SMILES for 8-(3-carboxy-5-ethylpyrazol-1-yl)-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylic acid is CCc1cc(C(=O)O)nn1-c1cc(C(=O)O)cn2c(-c3ccc(C)s3)cnc12.
What is the InChIKey of 8-(3-carboxy-5-ethylpyrazol-1-yl)-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylic acid?
The InChIKey is AGCRYROPMYWSMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O4S/c1-3-12-7-13(19(26)27)21-23(12)14-6-11(18(24)25)9-22-15(8-20-17(14)22)16-5-4-10(2)28-16/h4-9H,3H2,1-2H3,(H,24,25)(H,26,27).
What are the key properties of 8-(3-carboxy-5-ethylpyrazol-1-yl)-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylic acid?
8-(3-carboxy-5-ethylpyrazol-1-yl)-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylic acid has a molecular weight of 396.43 g/mol, XLogP of 3.52, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-carboxy-5-ethylpyrazol-1-yl)-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylic acid is sourced from PubChem (CID 118168206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).