8-(1-methylpyrazol-4-yl)-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylic acid

C17H14N4O2S — CID 118167982

IUPAC8-(1-methylpyrazol-4-yl)-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylic acid
SMILESCc1ccc(-c2cnc3c(-c4cnn(C)c4)cc(C(=O)O)cn23)s1
InChIInChI=1S/C17H14N4O2S/c1-10-3-4-15(24-10)14-7-18-16-13(12-6-19-20(2)8-12)5-11(17(22)23)9-21(14)16/h3-9H,1-2H3,(H,22,23)
InChIKeyPTGXSHVFHXTOJX-UHFFFAOYSA-N
MW338.39 g/mol
LogP3.47
Rot. Bonds3

About 8-(1-methylpyrazol-4-yl)-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylic acid

8-(1-methylpyrazol-4-yl)-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylic acid (PubChem CID 118167982) has the molecular formula C17H14N4O2S and a molecular weight of 338.39 g/mol. Its IUPAC name is 8-(1-methylpyrazol-4-yl)-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name8-(1-methylpyrazol-4-yl)-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylic acid
PubChem CID118167982
Molecular FormulaC17H14N4O2S
Molecular Weight338.39 g/mol
Exact Mass338.08
IUPAC Name8-(1-methylpyrazol-4-yl)-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylic acid
SMILESCc1ccc(-c2cnc3c(-c4cnn(C)c4)cc(C(=O)O)cn23)s1
InChIInChI=1S/C17H14N4O2S/c1-10-3-4-15(24-10)14-7-18-16-13(12-6-19-20(2)8-12)5-11(17(22)23)9-21(14)16/h3-9H,1-2H3,(H,22,23)
InChIKeyPTGXSHVFHXTOJX-UHFFFAOYSA-N
XLogP3.47
TPSA72.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-(1-methylpyrazol-4-yl)-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylic acid?
The IUPAC name of 8-(1-methylpyrazol-4-yl)-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylic acid (CID 118167982) is 8-(1-methylpyrazol-4-yl)-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylic acid.
What is the SMILES notation for 8-(1-methylpyrazol-4-yl)-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylic acid?
The canonical SMILES for 8-(1-methylpyrazol-4-yl)-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylic acid is Cc1ccc(-c2cnc3c(-c4cnn(C)c4)cc(C(=O)O)cn23)s1.
What is the InChIKey of 8-(1-methylpyrazol-4-yl)-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylic acid?
The InChIKey is PTGXSHVFHXTOJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O2S/c1-10-3-4-15(24-10)14-7-18-16-13(12-6-19-20(2)8-12)5-11(17(22)23)9-21(14)16/h3-9H,1-2H3,(H,22,23).
What are the key properties of 8-(1-methylpyrazol-4-yl)-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylic acid?
8-(1-methylpyrazol-4-yl)-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylic acid has a molecular weight of 338.39 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1-methylpyrazol-4-yl)-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylic acid is sourced from PubChem (CID 118167982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).