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

C19H20N4O2S — CID 144870440

IUPACethane;8-(1-methylpyrazol-4-yl)-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylic acid
SMILESCC.Cc1ccc(-c2cnc3c(-c4cnn(C)c4)cc(C(=O)O)cn23)s1
InChIInChI=1S/C17H14N4O2S.C2H6/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;1-2/h3-9H,1-2H3,(H,22,23);1-2H3
InChIKeyFFJXVHHYCJVIGV-UHFFFAOYSA-N
MW368.46 g/mol
LogP4.50
Rot. Bonds3

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

ethane;8-(1-methylpyrazol-4-yl)-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylic acid (PubChem CID 144870440) has the molecular formula C19H20N4O2S and a molecular weight of 368.46 g/mol. Its IUPAC name is ethane;8-(1-methylpyrazol-4-yl)-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylic acid.

Molecular Properties

Compound Nameethane;8-(1-methylpyrazol-4-yl)-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylic acid
PubChem CID144870440
Molecular FormulaC19H20N4O2S
Molecular Weight368.46 g/mol
Exact Mass368.13
IUPAC Nameethane;8-(1-methylpyrazol-4-yl)-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylic acid
SMILESCC.Cc1ccc(-c2cnc3c(-c4cnn(C)c4)cc(C(=O)O)cn23)s1
InChIInChI=1S/C17H14N4O2S.C2H6/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;1-2/h3-9H,1-2H3,(H,22,23);1-2H3
InChIKeyFFJXVHHYCJVIGV-UHFFFAOYSA-N
XLogP4.50
TPSA72.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

1-(Pyridin-4-ylmethyl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 71600808
6-(3-Methylthiophen-2-yl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 71600809
6-(4-Methylthiophen-2-yl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 71600810
6-(5-Methylthiophen-2-yl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 71600936
6-(5-Acetylthiophen-2-yl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 71600938
5-[7-(1-Methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxamide
CID 164618457
5-[7-[1-[2-(Dimethylamino)ethyl]pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxamide
CID 164622155
Methyl 2-phenyl-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine-6-carboxylate
CID 51359845
6-[[2-butyl-5-[(E)-2-carboxy-3-thiophen-2-ylprop-1-enyl]imidazol-1-yl]methyl]pyridine-3-carboxylic acid
CID 44210682
ethyl 5-((2-((1-methyl-1H-pyrazol-4-yl)amino)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)methyl)thiophene-2-carboxylate
CID 155280512
1-(propan-2-yl)-6-(thiophen-2-yl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 4914505
1-ethyl-6-(thiophen-2-yl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 16227451

Frequently Asked Questions

What is the IUPAC name of ethane;8-(1-methylpyrazol-4-yl)-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylic acid?
The IUPAC name of ethane;8-(1-methylpyrazol-4-yl)-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylic acid (CID 144870440) is ethane;8-(1-methylpyrazol-4-yl)-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylic acid.
What is the SMILES notation for ethane;8-(1-methylpyrazol-4-yl)-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylic acid?
The canonical SMILES for ethane;8-(1-methylpyrazol-4-yl)-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylic acid is CC.Cc1ccc(-c2cnc3c(-c4cnn(C)c4)cc(C(=O)O)cn23)s1.
What is the InChIKey of ethane;8-(1-methylpyrazol-4-yl)-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylic acid?
The InChIKey is FFJXVHHYCJVIGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O2S.C2H6/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;1-2/h3-9H,1-2H3,(H,22,23);1-2H3.
What are the key properties of ethane;8-(1-methylpyrazol-4-yl)-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylic acid?
ethane;8-(1-methylpyrazol-4-yl)-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylic acid has a molecular weight of 368.46 g/mol, XLogP of 4.50, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;8-(1-methylpyrazol-4-yl)-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylic acid is sourced from PubChem (CID 144870440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).