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

C18H16N4O2S — CID 118168058

IUPAC8-(5-ethylpyrazol-1-yl)-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylic acid
SMILESCCc1ccnn1-c1cc(C(=O)O)cn2c(-c3ccc(C)s3)cnc12
InChIInChI=1S/C18H16N4O2S/c1-3-13-6-7-20-22(13)14-8-12(18(23)24)10-21-15(9-19-17(14)21)16-5-4-11(2)25-16/h4-10H,3H2,1-2H3,(H,23,24)
InChIKeyDTELZQHIQXORRU-UHFFFAOYSA-N
MW352.42 g/mol
LogP3.82
Rot. Bonds4

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

8-(5-ethylpyrazol-1-yl)-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylic acid (PubChem CID 118168058) has the molecular formula C18H16N4O2S and a molecular weight of 352.42 g/mol. Its IUPAC name is 8-(5-ethylpyrazol-1-yl)-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name8-(5-ethylpyrazol-1-yl)-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylic acid
PubChem CID118168058
Molecular FormulaC18H16N4O2S
Molecular Weight352.42 g/mol
Exact Mass352.10
IUPAC Name8-(5-ethylpyrazol-1-yl)-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylic acid
SMILESCCc1ccnn1-c1cc(C(=O)O)cn2c(-c3ccc(C)s3)cnc12
InChIInChI=1S/C18H16N4O2S/c1-3-13-6-7-20-22(13)14-8-12(18(23)24)10-21-15(9-19-17(14)21)16-5-4-11(2)25-16/h4-10H,3H2,1-2H3,(H,23,24)
InChIKeyDTELZQHIQXORRU-UHFFFAOYSA-N
XLogP3.82
TPSA72.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

6-(5-Methylthiophen-2-yl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 71600936
5-[7-[1-[2-(Dimethylamino)ethyl]pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxamide
CID 164622155
US11584755, Example 144
CID 138512818
1-(1-(1-cyclohexyl-3-(difluoromethyl)-1H-pyrazol-4-yl)-1H-1,2,3-triazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid
CID 170733177
ethyl 5-((2-((1-methyl-1H-pyrazol-4-yl)amino)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)methyl)thiophene-2-carboxylate
CID 155280512
6-methyl-1-[(thiophen-2-yl)methyl]-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 17476063
6-[2-[2-(Dimethylamino)-3-methylimidazol-4-yl]ethenyl]-1,3-dimethylpyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 136549723
2-Ethyl-7-[3-[[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophene-2-carbonyl]amino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 69191870
Methyl 8-[5-(difluoromethyl)tetrazol-1-yl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylate
CID 118168005
8-[5-(Difluoromethyl)tetrazol-1-yl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylic acid
CID 118168171
Methyl 8-[5-(difluoromethyl)-4-ethoxycarbonyltriazol-1-yl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylate
CID 118168311
8-[5-(Difluoromethyl)triazol-1-yl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylic acid
CID 118168504

Frequently Asked Questions

What is the IUPAC name of 8-(5-ethylpyrazol-1-yl)-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylic acid?
The IUPAC name of 8-(5-ethylpyrazol-1-yl)-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylic acid (CID 118168058) is 8-(5-ethylpyrazol-1-yl)-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylic acid.
What is the SMILES notation for 8-(5-ethylpyrazol-1-yl)-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylic acid?
The canonical SMILES for 8-(5-ethylpyrazol-1-yl)-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylic acid is CCc1ccnn1-c1cc(C(=O)O)cn2c(-c3ccc(C)s3)cnc12.
What is the InChIKey of 8-(5-ethylpyrazol-1-yl)-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylic acid?
The InChIKey is DTELZQHIQXORRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2S/c1-3-13-6-7-20-22(13)14-8-12(18(23)24)10-21-15(9-19-17(14)21)16-5-4-11(2)25-16/h4-10H,3H2,1-2H3,(H,23,24).
What are the key properties of 8-(5-ethylpyrazol-1-yl)-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylic acid?
8-(5-ethylpyrazol-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 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(5-ethylpyrazol-1-yl)-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylic acid is sourced from PubChem (CID 118168058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).