8-amino-3-thiophen-2-ylimidazo[1,5-a]pyridine-1-carboxylic acid

C12H9N3O2S — CID 117252334

IUPAC8-amino-3-thiophen-2-ylimidazo[1,5-a]pyridine-1-carboxylic acid
SMILESNc1cccn2c(-c3cccs3)nc(C(=O)O)c12
InChIInChI=1S/C12H9N3O2S/c13-7-3-1-5-15-10(7)9(12(16)17)14-11(15)8-4-2-6-18-8/h1-6H,13H2,(H,16,17)
InChIKeyVFJKNUMDCPXVGJ-UHFFFAOYSA-N
MW259.29 g/mol
LogP2.34
Rot. Bonds2

About 8-amino-3-thiophen-2-ylimidazo[1,5-a]pyridine-1-carboxylic acid

8-amino-3-thiophen-2-ylimidazo[1,5-a]pyridine-1-carboxylic acid (PubChem CID 117252334) has the molecular formula C12H9N3O2S and a molecular weight of 259.29 g/mol. Its IUPAC name is 8-amino-3-thiophen-2-ylimidazo[1,5-a]pyridine-1-carboxylic acid.

Molecular Properties

Compound Name8-amino-3-thiophen-2-ylimidazo[1,5-a]pyridine-1-carboxylic acid
PubChem CID117252334
Molecular FormulaC12H9N3O2S
Molecular Weight259.29 g/mol
Exact Mass259.04
IUPAC Name8-amino-3-thiophen-2-ylimidazo[1,5-a]pyridine-1-carboxylic acid
SMILESNc1cccn2c(-c3cccs3)nc(C(=O)O)c12
InChIInChI=1S/C12H9N3O2S/c13-7-3-1-5-15-10(7)9(12(16)17)14-11(15)8-4-2-6-18-8/h1-6H,13H2,(H,16,17)
InChIKeyVFJKNUMDCPXVGJ-UHFFFAOYSA-N
XLogP2.34
TPSA80.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.29
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

8-amino-3-(4-fluorophenyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117252626
8-amino-3-ethylimidazo[1,5-a]pyridine-1-carboxylic acid
CID 83832703
7-bromo-3-thiophen-2-ylimidazo[1,5-a]pyridine-1-carboxylic acid
CID 84744734
8-amino-3-(methoxymethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117255640
8-amino-3-[2-(methylamino)propyl]imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117254986
2-amino-5-thiophen-2-yl-1,3-thiazole-4-carboxylic acid
CID 53271730
4-methoxy-1-thiophen-2-yl-4H-imidazo[5,1-c][1,4]benzoxazine-3-carboxylic acid
CID 141444324
2-methyl-5-thiophen-2-yl-1,3-thiazole-4-carboxylic acid
CID 53271804
2-bromo-5-thiophen-2-yl-1,3-thiazole-4-carboxylic acid
CID 106510216
3-phenylimidazo[1,5-a]pyridine-1,8-dicarboxylic acid
CID 117252473
3-thiophen-2-ylimidazo[1,5-a]pyridine-1-carbaldehyde
CID 957617
3-thiophen-2-ylpyrazine-2-carboxylic acid
CID 82470252

Frequently Asked Questions

What is the IUPAC name of 8-amino-3-thiophen-2-ylimidazo[1,5-a]pyridine-1-carboxylic acid?
The IUPAC name of 8-amino-3-thiophen-2-ylimidazo[1,5-a]pyridine-1-carboxylic acid (CID 117252334) is 8-amino-3-thiophen-2-ylimidazo[1,5-a]pyridine-1-carboxylic acid.
What is the SMILES notation for 8-amino-3-thiophen-2-ylimidazo[1,5-a]pyridine-1-carboxylic acid?
The canonical SMILES for 8-amino-3-thiophen-2-ylimidazo[1,5-a]pyridine-1-carboxylic acid is Nc1cccn2c(-c3cccs3)nc(C(=O)O)c12.
What is the InChIKey of 8-amino-3-thiophen-2-ylimidazo[1,5-a]pyridine-1-carboxylic acid?
The InChIKey is VFJKNUMDCPXVGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O2S/c13-7-3-1-5-15-10(7)9(12(16)17)14-11(15)8-4-2-6-18-8/h1-6H,13H2,(H,16,17).
What are the key properties of 8-amino-3-thiophen-2-ylimidazo[1,5-a]pyridine-1-carboxylic acid?
8-amino-3-thiophen-2-ylimidazo[1,5-a]pyridine-1-carboxylic acid has a molecular weight of 259.29 g/mol, XLogP of 2.34, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-3-thiophen-2-ylimidazo[1,5-a]pyridine-1-carboxylic acid is sourced from PubChem (CID 117252334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).