3-(5-methylthiophen-2-yl)-8-piperazin-1-ylimidazo[1,2-a]pyridine-6-carboxylic acid

C17H18N4O2S — CID 118168185

IUPAC3-(5-methylthiophen-2-yl)-8-piperazin-1-ylimidazo[1,2-a]pyridine-6-carboxylic acid
SMILESCc1ccc(-c2cnc3c(N4CCNCC4)cc(C(=O)O)cn23)s1
InChIInChI=1S/C17H18N4O2S/c1-11-2-3-15(24-11)14-9-19-16-13(20-6-4-18-5-7-20)8-12(17(22)23)10-21(14)16/h2-3,8-10,18H,4-7H2,1H3,(H,22,23)
InChIKeyCJBBTXVWPOWLDX-UHFFFAOYSA-N
MW342.42 g/mol
LogP2.48
Rot. Bonds3

About 3-(5-methylthiophen-2-yl)-8-piperazin-1-ylimidazo[1,2-a]pyridine-6-carboxylic acid

3-(5-methylthiophen-2-yl)-8-piperazin-1-ylimidazo[1,2-a]pyridine-6-carboxylic acid (PubChem CID 118168185) has the molecular formula C17H18N4O2S and a molecular weight of 342.42 g/mol. Its IUPAC name is 3-(5-methylthiophen-2-yl)-8-piperazin-1-ylimidazo[1,2-a]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name3-(5-methylthiophen-2-yl)-8-piperazin-1-ylimidazo[1,2-a]pyridine-6-carboxylic acid
PubChem CID118168185
Molecular FormulaC17H18N4O2S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC Name3-(5-methylthiophen-2-yl)-8-piperazin-1-ylimidazo[1,2-a]pyridine-6-carboxylic acid
SMILESCc1ccc(-c2cnc3c(N4CCNCC4)cc(C(=O)O)cn23)s1
InChIInChI=1S/C17H18N4O2S/c1-11-2-3-15(24-11)14-9-19-16-13(20-6-4-18-5-7-20)8-12(17(22)23)10-21(14)16/h2-3,8-10,18H,4-7H2,1H3,(H,22,23)
InChIKeyCJBBTXVWPOWLDX-UHFFFAOYSA-N
XLogP2.48
TPSA69.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(5-methylthiophen-2-yl)-8-piperazin-1-ylimidazo[1,2-a]pyridine-6-carboxylic acid?
The IUPAC name of 3-(5-methylthiophen-2-yl)-8-piperazin-1-ylimidazo[1,2-a]pyridine-6-carboxylic acid (CID 118168185) is 3-(5-methylthiophen-2-yl)-8-piperazin-1-ylimidazo[1,2-a]pyridine-6-carboxylic acid.
What is the SMILES notation for 3-(5-methylthiophen-2-yl)-8-piperazin-1-ylimidazo[1,2-a]pyridine-6-carboxylic acid?
The canonical SMILES for 3-(5-methylthiophen-2-yl)-8-piperazin-1-ylimidazo[1,2-a]pyridine-6-carboxylic acid is Cc1ccc(-c2cnc3c(N4CCNCC4)cc(C(=O)O)cn23)s1.
What is the InChIKey of 3-(5-methylthiophen-2-yl)-8-piperazin-1-ylimidazo[1,2-a]pyridine-6-carboxylic acid?
The InChIKey is CJBBTXVWPOWLDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2S/c1-11-2-3-15(24-11)14-9-19-16-13(20-6-4-18-5-7-20)8-12(17(22)23)10-21(14)16/h2-3,8-10,18H,4-7H2,1H3,(H,22,23).
What are the key properties of 3-(5-methylthiophen-2-yl)-8-piperazin-1-ylimidazo[1,2-a]pyridine-6-carboxylic acid?
3-(5-methylthiophen-2-yl)-8-piperazin-1-ylimidazo[1,2-a]pyridine-6-carboxylic acid has a molecular weight of 342.42 g/mol, XLogP of 2.48, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methylthiophen-2-yl)-8-piperazin-1-ylimidazo[1,2-a]pyridine-6-carboxylic acid is sourced from PubChem (CID 118168185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).