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

C17H15N5O2S — CID 118168379

IUPAC8-(3,5-dimethyl-1,2,4-triazol-4-yl)-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylic acid
SMILESCc1ccc(-c2cnc3c(-n4c(C)nnc4C)cc(C(=O)O)cn23)s1
InChIInChI=1S/C17H15N5O2S/c1-9-4-5-15(25-9)14-7-18-16-13(22-10(2)19-20-11(22)3)6-12(17(23)24)8-21(14)16/h4-8H,1-3H3,(H,23,24)
InChIKeyMGYKJZBMRUTQNT-UHFFFAOYSA-N
MW353.41 g/mol
LogP3.27
Rot. Bonds3

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

8-(3,5-dimethyl-1,2,4-triazol-4-yl)-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylic acid (PubChem CID 118168379) has the molecular formula C17H15N5O2S and a molecular weight of 353.41 g/mol. Its IUPAC name is 8-(3,5-dimethyl-1,2,4-triazol-4-yl)-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name8-(3,5-dimethyl-1,2,4-triazol-4-yl)-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylic acid
PubChem CID118168379
Molecular FormulaC17H15N5O2S
Molecular Weight353.41 g/mol
Exact Mass353.09
IUPAC Name8-(3,5-dimethyl-1,2,4-triazol-4-yl)-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylic acid
SMILESCc1ccc(-c2cnc3c(-n4c(C)nnc4C)cc(C(=O)O)cn23)s1
InChIInChI=1S/C17H15N5O2S/c1-9-4-5-15(25-9)14-7-18-16-13(22-10(2)19-20-11(22)3)6-12(17(23)24)8-21(14)16/h4-8H,1-3H3,(H,23,24)
InChIKeyMGYKJZBMRUTQNT-UHFFFAOYSA-N
XLogP3.27
TPSA85.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.41
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-(3,5-dimethyl-1,2,4-triazol-4-yl)-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylic acid?
The IUPAC name of 8-(3,5-dimethyl-1,2,4-triazol-4-yl)-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylic acid (CID 118168379) is 8-(3,5-dimethyl-1,2,4-triazol-4-yl)-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylic acid.
What is the SMILES notation for 8-(3,5-dimethyl-1,2,4-triazol-4-yl)-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylic acid?
The canonical SMILES for 8-(3,5-dimethyl-1,2,4-triazol-4-yl)-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylic acid is Cc1ccc(-c2cnc3c(-n4c(C)nnc4C)cc(C(=O)O)cn23)s1.
What is the InChIKey of 8-(3,5-dimethyl-1,2,4-triazol-4-yl)-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylic acid?
The InChIKey is MGYKJZBMRUTQNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O2S/c1-9-4-5-15(25-9)14-7-18-16-13(22-10(2)19-20-11(22)3)6-12(17(23)24)8-21(14)16/h4-8H,1-3H3,(H,23,24).
What are the key properties of 8-(3,5-dimethyl-1,2,4-triazol-4-yl)-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylic acid?
8-(3,5-dimethyl-1,2,4-triazol-4-yl)-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylic acid has a molecular weight of 353.41 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3,5-dimethyl-1,2,4-triazol-4-yl)-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylic acid is sourced from PubChem (CID 118168379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).