2-(2-thieno[2,3-b]pyridin-5-yl-1-benzofuran-5-yl)furo[3,2-b]pyridine

C22H12N2O2S — CID 129252507

IUPAC2-(2-thieno[2,3-b]pyridin-5-yl-1-benzofuran-5-yl)furo[3,2-b]pyridine
SMILESc1cnc2cc(-c3ccc4oc(-c5cnc6sccc6c5)cc4c3)oc2c1
InChIInChI=1S/C22H12N2O2S/c1-2-19-17(23-6-1)11-21(26-19)13-3-4-18-15(8-13)10-20(25-18)16-9-14-5-7-27-22(14)24-12-16/h1-12H
InChIKeyITNQKWALZQMYFI-UHFFFAOYSA-N
MW368.42 g/mol
LogP6.52
Rot. Bonds2

About 2-(2-thieno[2,3-b]pyridin-5-yl-1-benzofuran-5-yl)furo[3,2-b]pyridine

2-(2-thieno[2,3-b]pyridin-5-yl-1-benzofuran-5-yl)furo[3,2-b]pyridine (PubChem CID 129252507) has the molecular formula C22H12N2O2S and a molecular weight of 368.42 g/mol. Its IUPAC name is 2-(2-thieno[2,3-b]pyridin-5-yl-1-benzofuran-5-yl)furo[3,2-b]pyridine.

Molecular Properties

Compound Name2-(2-thieno[2,3-b]pyridin-5-yl-1-benzofuran-5-yl)furo[3,2-b]pyridine
PubChem CID129252507
Molecular FormulaC22H12N2O2S
Molecular Weight368.42 g/mol
Exact Mass368.06
IUPAC Name2-(2-thieno[2,3-b]pyridin-5-yl-1-benzofuran-5-yl)furo[3,2-b]pyridine
SMILESc1cnc2cc(-c3ccc4oc(-c5cnc6sccc6c5)cc4c3)oc2c1
InChIInChI=1S/C22H12N2O2S/c1-2-19-17(23-6-1)11-21(26-19)13-3-4-18-15(8-13)10-20(25-18)16-9-14-5-7-27-22(14)24-12-16/h1-12H
InChIKeyITNQKWALZQMYFI-UHFFFAOYSA-N
XLogP6.52
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.42
LogP ≤ 56.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-thieno[2,3-b]pyridin-5-yl-1-benzofuran-5-yl)furo[3,2-b]pyridine?
The IUPAC name of 2-(2-thieno[2,3-b]pyridin-5-yl-1-benzofuran-5-yl)furo[3,2-b]pyridine (CID 129252507) is 2-(2-thieno[2,3-b]pyridin-5-yl-1-benzofuran-5-yl)furo[3,2-b]pyridine.
What is the SMILES notation for 2-(2-thieno[2,3-b]pyridin-5-yl-1-benzofuran-5-yl)furo[3,2-b]pyridine?
The canonical SMILES for 2-(2-thieno[2,3-b]pyridin-5-yl-1-benzofuran-5-yl)furo[3,2-b]pyridine is c1cnc2cc(-c3ccc4oc(-c5cnc6sccc6c5)cc4c3)oc2c1.
What is the InChIKey of 2-(2-thieno[2,3-b]pyridin-5-yl-1-benzofuran-5-yl)furo[3,2-b]pyridine?
The InChIKey is ITNQKWALZQMYFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H12N2O2S/c1-2-19-17(23-6-1)11-21(26-19)13-3-4-18-15(8-13)10-20(25-18)16-9-14-5-7-27-22(14)24-12-16/h1-12H.
What are the key properties of 2-(2-thieno[2,3-b]pyridin-5-yl-1-benzofuran-5-yl)furo[3,2-b]pyridine?
2-(2-thieno[2,3-b]pyridin-5-yl-1-benzofuran-5-yl)furo[3,2-b]pyridine has a molecular weight of 368.42 g/mol, XLogP of 6.52, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-thieno[2,3-b]pyridin-5-yl-1-benzofuran-5-yl)furo[3,2-b]pyridine is sourced from PubChem (CID 129252507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).