2-thieno[3,2-b]thiophen-5-yl-1H-imidazo[4,5-b]pyridine-7-carboxylic acid

C13H7N3O2S2 — CID 115938334

IUPAC2-thieno[3,2-b]thiophen-5-yl-1H-imidazo[4,5-b]pyridine-7-carboxylic acid
SMILESO=C(O)c1ccnc2nc(-c3cc4sccc4s3)[nH]c12
InChIInChI=1S/C13H7N3O2S2/c17-13(18)6-1-3-14-12-10(6)15-11(16-12)9-5-8-7(20-9)2-4-19-8/h1-5H,(H,17,18)(H,14,15,16)
InChIKeyKAZCNZIKOIATDO-UHFFFAOYSA-N
MW301.35 g/mol
LogP3.60
Rot. Bonds2

About 2-thieno[3,2-b]thiophen-5-yl-1H-imidazo[4,5-b]pyridine-7-carboxylic acid

2-thieno[3,2-b]thiophen-5-yl-1H-imidazo[4,5-b]pyridine-7-carboxylic acid (PubChem CID 115938334) has the molecular formula C13H7N3O2S2 and a molecular weight of 301.35 g/mol. Its IUPAC name is 2-thieno[3,2-b]thiophen-5-yl-1H-imidazo[4,5-b]pyridine-7-carboxylic acid.

Molecular Properties

Compound Name2-thieno[3,2-b]thiophen-5-yl-1H-imidazo[4,5-b]pyridine-7-carboxylic acid
PubChem CID115938334
Molecular FormulaC13H7N3O2S2
Molecular Weight301.35 g/mol
Exact Mass301.00
IUPAC Name2-thieno[3,2-b]thiophen-5-yl-1H-imidazo[4,5-b]pyridine-7-carboxylic acid
SMILESO=C(O)c1ccnc2nc(-c3cc4sccc4s3)[nH]c12
InChIInChI=1S/C13H7N3O2S2/c17-13(18)6-1-3-14-12-10(6)15-11(16-12)9-5-8-7(20-9)2-4-19-8/h1-5H,(H,17,18)(H,14,15,16)
InChIKeyKAZCNZIKOIATDO-UHFFFAOYSA-N
XLogP3.60
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-thieno[3,2-b]thiophen-5-yl-1H-imidazo[4,5-b]pyridine-7-carboxylic acid?
The IUPAC name of 2-thieno[3,2-b]thiophen-5-yl-1H-imidazo[4,5-b]pyridine-7-carboxylic acid (CID 115938334) is 2-thieno[3,2-b]thiophen-5-yl-1H-imidazo[4,5-b]pyridine-7-carboxylic acid.
What is the SMILES notation for 2-thieno[3,2-b]thiophen-5-yl-1H-imidazo[4,5-b]pyridine-7-carboxylic acid?
The canonical SMILES for 2-thieno[3,2-b]thiophen-5-yl-1H-imidazo[4,5-b]pyridine-7-carboxylic acid is O=C(O)c1ccnc2nc(-c3cc4sccc4s3)[nH]c12.
What is the InChIKey of 2-thieno[3,2-b]thiophen-5-yl-1H-imidazo[4,5-b]pyridine-7-carboxylic acid?
The InChIKey is KAZCNZIKOIATDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7N3O2S2/c17-13(18)6-1-3-14-12-10(6)15-11(16-12)9-5-8-7(20-9)2-4-19-8/h1-5H,(H,17,18)(H,14,15,16).
What are the key properties of 2-thieno[3,2-b]thiophen-5-yl-1H-imidazo[4,5-b]pyridine-7-carboxylic acid?
2-thieno[3,2-b]thiophen-5-yl-1H-imidazo[4,5-b]pyridine-7-carboxylic acid has a molecular weight of 301.35 g/mol, XLogP of 3.60, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thieno[3,2-b]thiophen-5-yl-1H-imidazo[4,5-b]pyridine-7-carboxylic acid is sourced from PubChem (CID 115938334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).