2-cyclopentyl-4-thieno[2,3-b]pyridin-3-ylbenzoic acid

C19H17NO2S — CID 164609318

IUPAC2-cyclopentyl-4-thieno[2,3-b]pyridin-3-ylbenzoic acid
SMILESO=C(O)c1ccc(-c2csc3ncccc23)cc1C1CCCC1
InChIInChI=1S/C19H17NO2S/c21-19(22)15-8-7-13(10-16(15)12-4-1-2-5-12)17-11-23-18-14(17)6-3-9-20-18/h3,6-12H,1-2,4-5H2,(H,21,22)
InChIKeyTUEPJOYCLLKGIY-UHFFFAOYSA-N
MW323.42 g/mol
LogP5.32
Rot. Bonds3

About 2-cyclopentyl-4-thieno[2,3-b]pyridin-3-ylbenzoic acid

2-cyclopentyl-4-thieno[2,3-b]pyridin-3-ylbenzoic acid (PubChem CID 164609318) has the molecular formula C19H17NO2S and a molecular weight of 323.42 g/mol. Its IUPAC name is 2-cyclopentyl-4-thieno[2,3-b]pyridin-3-ylbenzoic acid.

Molecular Properties

Compound Name2-cyclopentyl-4-thieno[2,3-b]pyridin-3-ylbenzoic acid
PubChem CID164609318
Molecular FormulaC19H17NO2S
Molecular Weight323.42 g/mol
Exact Mass323.10
IUPAC Name2-cyclopentyl-4-thieno[2,3-b]pyridin-3-ylbenzoic acid
SMILESO=C(O)c1ccc(-c2csc3ncccc23)cc1C1CCCC1
InChIInChI=1S/C19H17NO2S/c21-19(22)15-8-7-13(10-16(15)12-4-1-2-5-12)17-11-23-18-14(17)6-3-9-20-18/h3,6-12H,1-2,4-5H2,(H,21,22)
InChIKeyTUEPJOYCLLKGIY-UHFFFAOYSA-N
XLogP5.32
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.42
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-4-thieno[2,3-b]pyridin-3-ylbenzoic acid?
The IUPAC name of 2-cyclopentyl-4-thieno[2,3-b]pyridin-3-ylbenzoic acid (CID 164609318) is 2-cyclopentyl-4-thieno[2,3-b]pyridin-3-ylbenzoic acid.
What is the SMILES notation for 2-cyclopentyl-4-thieno[2,3-b]pyridin-3-ylbenzoic acid?
The canonical SMILES for 2-cyclopentyl-4-thieno[2,3-b]pyridin-3-ylbenzoic acid is O=C(O)c1ccc(-c2csc3ncccc23)cc1C1CCCC1.
What is the InChIKey of 2-cyclopentyl-4-thieno[2,3-b]pyridin-3-ylbenzoic acid?
The InChIKey is TUEPJOYCLLKGIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO2S/c21-19(22)15-8-7-13(10-16(15)12-4-1-2-5-12)17-11-23-18-14(17)6-3-9-20-18/h3,6-12H,1-2,4-5H2,(H,21,22).
What are the key properties of 2-cyclopentyl-4-thieno[2,3-b]pyridin-3-ylbenzoic acid?
2-cyclopentyl-4-thieno[2,3-b]pyridin-3-ylbenzoic acid has a molecular weight of 323.42 g/mol, XLogP of 5.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-4-thieno[2,3-b]pyridin-3-ylbenzoic acid is sourced from PubChem (CID 164609318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).