3-amino-6-pyridin-3-yl-4-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxylic acid

C17H11N3O2S2 — CID 96823157

IUPAC3-amino-6-pyridin-3-yl-4-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxylic acid
SMILESNc1c(C(=O)O)sc2nc(-c3cccnc3)cc(-c3cccs3)c12
InChIInChI=1S/C17H11N3O2S2/c18-14-13-10(12-4-2-6-23-12)7-11(9-3-1-5-19-8-9)20-16(13)24-15(14)17(21)22/h1-8H,18H2,(H,21,22)
InChIKeyQECBDWMBXWFECX-UHFFFAOYSA-N
MW353.43 g/mol
LogP4.37
Rot. Bonds3

About 3-amino-6-pyridin-3-yl-4-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxylic acid

3-amino-6-pyridin-3-yl-4-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxylic acid (PubChem CID 96823157) has the molecular formula C17H11N3O2S2 and a molecular weight of 353.43 g/mol. Its IUPAC name is 3-amino-6-pyridin-3-yl-4-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-amino-6-pyridin-3-yl-4-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxylic acid
PubChem CID96823157
Molecular FormulaC17H11N3O2S2
Molecular Weight353.43 g/mol
Exact Mass353.03
IUPAC Name3-amino-6-pyridin-3-yl-4-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxylic acid
SMILESNc1c(C(=O)O)sc2nc(-c3cccnc3)cc(-c3cccs3)c12
InChIInChI=1S/C17H11N3O2S2/c18-14-13-10(12-4-2-6-23-12)7-11(9-3-1-5-19-8-9)20-16(13)24-15(14)17(21)22/h1-8H,18H2,(H,21,22)
InChIKeyQECBDWMBXWFECX-UHFFFAOYSA-N
XLogP4.37
TPSA89.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-pyridin-3-yl-4-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxylic acid?
The IUPAC name of 3-amino-6-pyridin-3-yl-4-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxylic acid (CID 96823157) is 3-amino-6-pyridin-3-yl-4-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-amino-6-pyridin-3-yl-4-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxylic acid?
The canonical SMILES for 3-amino-6-pyridin-3-yl-4-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxylic acid is Nc1c(C(=O)O)sc2nc(-c3cccnc3)cc(-c3cccs3)c12.
What is the InChIKey of 3-amino-6-pyridin-3-yl-4-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxylic acid?
The InChIKey is QECBDWMBXWFECX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N3O2S2/c18-14-13-10(12-4-2-6-23-12)7-11(9-3-1-5-19-8-9)20-16(13)24-15(14)17(21)22/h1-8H,18H2,(H,21,22).
What are the key properties of 3-amino-6-pyridin-3-yl-4-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxylic acid?
3-amino-6-pyridin-3-yl-4-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxylic acid has a molecular weight of 353.43 g/mol, XLogP of 4.37, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-pyridin-3-yl-4-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxylic acid is sourced from PubChem (CID 96823157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).