4-bromo-6-(thian-4-yloxy)pyrazolo[1,5-a]pyridine-3-carbonitrile

C13H12BrN3OS — CID 155300905

IUPAC4-bromo-6-(thian-4-yloxy)pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESN#Cc1cnn2cc(OC3CCSCC3)cc(Br)c12
InChIInChI=1S/C13H12BrN3OS/c14-12-5-11(18-10-1-3-19-4-2-10)8-17-13(12)9(6-15)7-16-17/h5,7-8,10H,1-4H2
InChIKeyWZCRBJQMAVUDSZ-UHFFFAOYSA-N
MW338.23 g/mol
LogP3.24
Rot. Bonds2

About 4-bromo-6-(thian-4-yloxy)pyrazolo[1,5-a]pyridine-3-carbonitrile

4-bromo-6-(thian-4-yloxy)pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 155300905) has the molecular formula C13H12BrN3OS and a molecular weight of 338.23 g/mol. Its IUPAC name is 4-bromo-6-(thian-4-yloxy)pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-bromo-6-(thian-4-yloxy)pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID155300905
Molecular FormulaC13H12BrN3OS
Molecular Weight338.23 g/mol
Exact Mass336.99
IUPAC Name4-bromo-6-(thian-4-yloxy)pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESN#Cc1cnn2cc(OC3CCSCC3)cc(Br)c12
InChIInChI=1S/C13H12BrN3OS/c14-12-5-11(18-10-1-3-19-4-2-10)8-17-13(12)9(6-15)7-16-17/h5,7-8,10H,1-4H2
InChIKeyWZCRBJQMAVUDSZ-UHFFFAOYSA-N
XLogP3.24
TPSA50.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.23
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-bromo-6-(thian-4-yloxy)pyrazolo[1,5-a]pyridine-3-carbonitrile 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 4-bromo-6-(thian-4-yloxy)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 4-bromo-6-(thian-4-yloxy)pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 155300905) is 4-bromo-6-(thian-4-yloxy)pyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 4-bromo-6-(thian-4-yloxy)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 4-bromo-6-(thian-4-yloxy)pyrazolo[1,5-a]pyridine-3-carbonitrile is N#Cc1cnn2cc(OC3CCSCC3)cc(Br)c12.
What is the InChIKey of 4-bromo-6-(thian-4-yloxy)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is WZCRBJQMAVUDSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrN3OS/c14-12-5-11(18-10-1-3-19-4-2-10)8-17-13(12)9(6-15)7-16-17/h5,7-8,10H,1-4H2.
What are the key properties of 4-bromo-6-(thian-4-yloxy)pyrazolo[1,5-a]pyridine-3-carbonitrile?
4-bromo-6-(thian-4-yloxy)pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 338.23 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6-(thian-4-yloxy)pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 155300905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).