3-(furan-3-yl)-5-(4-thiophen-2-ylphenyl)-1H-pyrrolo[2,3-b]pyridine

C21H14N2OS — CID 70321961

IUPAC3-(furan-3-yl)-5-(4-thiophen-2-ylphenyl)-1H-pyrrolo[2,3-b]pyridine
SMILESc1csc(-c2ccc(-c3cnc4[nH]cc(-c5ccoc5)c4c3)cc2)c1
InChIInChI=1S/C21H14N2OS/c1-2-20(25-9-1)15-5-3-14(4-6-15)17-10-18-19(16-7-8-24-13-16)12-23-21(18)22-11-17/h1-13H,(H,22,23)
InChIKeyCQNMGMWTNIREOF-UHFFFAOYSA-N
MW342.42 g/mol
LogP6.22
Rot. Bonds3

About 3-(furan-3-yl)-5-(4-thiophen-2-ylphenyl)-1H-pyrrolo[2,3-b]pyridine

3-(furan-3-yl)-5-(4-thiophen-2-ylphenyl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 70321961) has the molecular formula C21H14N2OS and a molecular weight of 342.42 g/mol. Its IUPAC name is 3-(furan-3-yl)-5-(4-thiophen-2-ylphenyl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-(furan-3-yl)-5-(4-thiophen-2-ylphenyl)-1H-pyrrolo[2,3-b]pyridine
PubChem CID70321961
Molecular FormulaC21H14N2OS
Molecular Weight342.42 g/mol
Exact Mass342.08
IUPAC Name3-(furan-3-yl)-5-(4-thiophen-2-ylphenyl)-1H-pyrrolo[2,3-b]pyridine
SMILESc1csc(-c2ccc(-c3cnc4[nH]cc(-c5ccoc5)c4c3)cc2)c1
InChIInChI=1S/C21H14N2OS/c1-2-20(25-9-1)15-5-3-14(4-6-15)17-10-18-19(16-7-8-24-13-16)12-23-21(18)22-11-17/h1-13H,(H,22,23)
InChIKeyCQNMGMWTNIREOF-UHFFFAOYSA-N
XLogP6.22
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.42
LogP ≤ 56.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(furan-3-yl)-5-(4-thiophen-2-ylphenyl)-1H-pyrrolo[2,3-b]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(furan-3-yl)-5-(4-thiophen-2-ylphenyl)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 3-(furan-3-yl)-5-(4-thiophen-2-ylphenyl)-1H-pyrrolo[2,3-b]pyridine (CID 70321961) is 3-(furan-3-yl)-5-(4-thiophen-2-ylphenyl)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-(furan-3-yl)-5-(4-thiophen-2-ylphenyl)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-(furan-3-yl)-5-(4-thiophen-2-ylphenyl)-1H-pyrrolo[2,3-b]pyridine is c1csc(-c2ccc(-c3cnc4[nH]cc(-c5ccoc5)c4c3)cc2)c1.
What is the InChIKey of 3-(furan-3-yl)-5-(4-thiophen-2-ylphenyl)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is CQNMGMWTNIREOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N2OS/c1-2-20(25-9-1)15-5-3-14(4-6-15)17-10-18-19(16-7-8-24-13-16)12-23-21(18)22-11-17/h1-13H,(H,22,23).
What are the key properties of 3-(furan-3-yl)-5-(4-thiophen-2-ylphenyl)-1H-pyrrolo[2,3-b]pyridine?
3-(furan-3-yl)-5-(4-thiophen-2-ylphenyl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 342.42 g/mol, XLogP of 6.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-3-yl)-5-(4-thiophen-2-ylphenyl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 70321961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).