4-pyrrolidin-1-ylthieno[3,2-c]pyridine-6-carboxylic acid

C12H12N2O2S — CID 53316656

IUPAC4-pyrrolidin-1-ylthieno[3,2-c]pyridine-6-carboxylic acid
SMILESO=C(O)c1cc2sccc2c(N2CCCC2)n1
InChIInChI=1S/C12H12N2O2S/c15-12(16)9-7-10-8(3-6-17-10)11(13-9)14-4-1-2-5-14/h3,6-7H,1-2,4-5H2,(H,15,16)
InChIKeyDINOWPUSAJWUDR-UHFFFAOYSA-N
MW248.31 g/mol
LogP2.59
Rot. Bonds2

About 4-pyrrolidin-1-ylthieno[3,2-c]pyridine-6-carboxylic acid

4-pyrrolidin-1-ylthieno[3,2-c]pyridine-6-carboxylic acid (PubChem CID 53316656) has the molecular formula C12H12N2O2S and a molecular weight of 248.31 g/mol. Its IUPAC name is 4-pyrrolidin-1-ylthieno[3,2-c]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name4-pyrrolidin-1-ylthieno[3,2-c]pyridine-6-carboxylic acid
PubChem CID53316656
Molecular FormulaC12H12N2O2S
Molecular Weight248.31 g/mol
Exact Mass248.06
IUPAC Name4-pyrrolidin-1-ylthieno[3,2-c]pyridine-6-carboxylic acid
SMILESO=C(O)c1cc2sccc2c(N2CCCC2)n1
InChIInChI=1S/C12H12N2O2S/c15-12(16)9-7-10-8(3-6-17-10)11(13-9)14-4-1-2-5-14/h3,6-7H,1-2,4-5H2,(H,15,16)
InChIKeyDINOWPUSAJWUDR-UHFFFAOYSA-N
XLogP2.59
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-pyrrolidin-1-ylthieno[3,2-c]pyridine-6-carboxylic acid?
The IUPAC name of 4-pyrrolidin-1-ylthieno[3,2-c]pyridine-6-carboxylic acid (CID 53316656) is 4-pyrrolidin-1-ylthieno[3,2-c]pyridine-6-carboxylic acid.
What is the SMILES notation for 4-pyrrolidin-1-ylthieno[3,2-c]pyridine-6-carboxylic acid?
The canonical SMILES for 4-pyrrolidin-1-ylthieno[3,2-c]pyridine-6-carboxylic acid is O=C(O)c1cc2sccc2c(N2CCCC2)n1.
What is the InChIKey of 4-pyrrolidin-1-ylthieno[3,2-c]pyridine-6-carboxylic acid?
The InChIKey is DINOWPUSAJWUDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2S/c15-12(16)9-7-10-8(3-6-17-10)11(13-9)14-4-1-2-5-14/h3,6-7H,1-2,4-5H2,(H,15,16).
What are the key properties of 4-pyrrolidin-1-ylthieno[3,2-c]pyridine-6-carboxylic acid?
4-pyrrolidin-1-ylthieno[3,2-c]pyridine-6-carboxylic acid has a molecular weight of 248.31 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrrolidin-1-ylthieno[3,2-c]pyridine-6-carboxylic acid is sourced from PubChem (CID 53316656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).