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

C18H16N4O2S — CID 118168138

IUPAC8-(2,5-dimethylimidazol-1-yl)-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylic acid
SMILESCc1ccc(-c2cnc3c(-n4c(C)cnc4C)cc(C(=O)O)cn23)s1
InChIInChI=1S/C18H16N4O2S/c1-10-7-19-12(3)22(10)14-6-13(18(23)24)9-21-15(8-20-17(14)21)16-5-4-11(2)25-16/h4-9H,1-3H3,(H,23,24)
InChIKeyWCSPBRJMGDARND-UHFFFAOYSA-N
MW352.42 g/mol
LogP3.87
Rot. Bonds3

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

8-(2,5-dimethylimidazol-1-yl)-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylic acid (PubChem CID 118168138) has the molecular formula C18H16N4O2S and a molecular weight of 352.42 g/mol. Its IUPAC name is 8-(2,5-dimethylimidazol-1-yl)-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name8-(2,5-dimethylimidazol-1-yl)-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylic acid
PubChem CID118168138
Molecular FormulaC18H16N4O2S
Molecular Weight352.42 g/mol
Exact Mass352.10
IUPAC Name8-(2,5-dimethylimidazol-1-yl)-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylic acid
SMILESCc1ccc(-c2cnc3c(-n4c(C)cnc4C)cc(C(=O)O)cn23)s1
InChIInChI=1S/C18H16N4O2S/c1-10-7-19-12(3)22(10)14-6-13(18(23)24)9-21-15(8-20-17(14)21)16-5-4-11(2)25-16/h4-9H,1-3H3,(H,23,24)
InChIKeyWCSPBRJMGDARND-UHFFFAOYSA-N
XLogP3.87
TPSA72.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-(2,5-dimethylimidazol-1-yl)-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylic acid?
The IUPAC name of 8-(2,5-dimethylimidazol-1-yl)-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylic acid (CID 118168138) is 8-(2,5-dimethylimidazol-1-yl)-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylic acid.
What is the SMILES notation for 8-(2,5-dimethylimidazol-1-yl)-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylic acid?
The canonical SMILES for 8-(2,5-dimethylimidazol-1-yl)-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylic acid is Cc1ccc(-c2cnc3c(-n4c(C)cnc4C)cc(C(=O)O)cn23)s1.
What is the InChIKey of 8-(2,5-dimethylimidazol-1-yl)-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylic acid?
The InChIKey is WCSPBRJMGDARND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2S/c1-10-7-19-12(3)22(10)14-6-13(18(23)24)9-21-15(8-20-17(14)21)16-5-4-11(2)25-16/h4-9H,1-3H3,(H,23,24).
What are the key properties of 8-(2,5-dimethylimidazol-1-yl)-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylic acid?
8-(2,5-dimethylimidazol-1-yl)-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylic acid has a molecular weight of 352.42 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,5-dimethylimidazol-1-yl)-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylic acid is sourced from PubChem (CID 118168138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).