4-bromo-6-(2-hydroxy-2-methylpropyl)sulfinylpyrazolo[1,5-a]pyridine-3-carbonitrile

C12H12BrN3O2S — CID 155296201

IUPAC4-bromo-6-(2-hydroxy-2-methylpropyl)sulfinylpyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCC(C)(O)CS(=O)c1cc(Br)c2c(C#N)cnn2c1
InChIInChI=1S/C12H12BrN3O2S/c1-12(2,17)7-19(18)9-3-10(13)11-8(4-14)5-15-16(11)6-9/h3,5-6,17H,7H2,1-2H3
InChIKeyLOTXZIODHOPOMM-UHFFFAOYSA-N
MW342.22 g/mol
LogP1.85
Rot. Bonds3

About 4-bromo-6-(2-hydroxy-2-methylpropyl)sulfinylpyrazolo[1,5-a]pyridine-3-carbonitrile

4-bromo-6-(2-hydroxy-2-methylpropyl)sulfinylpyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 155296201) has the molecular formula C12H12BrN3O2S and a molecular weight of 342.22 g/mol. Its IUPAC name is 4-bromo-6-(2-hydroxy-2-methylpropyl)sulfinylpyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-bromo-6-(2-hydroxy-2-methylpropyl)sulfinylpyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID155296201
Molecular FormulaC12H12BrN3O2S
Molecular Weight342.22 g/mol
Exact Mass340.98
IUPAC Name4-bromo-6-(2-hydroxy-2-methylpropyl)sulfinylpyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCC(C)(O)CS(=O)c1cc(Br)c2c(C#N)cnn2c1
InChIInChI=1S/C12H12BrN3O2S/c1-12(2,17)7-19(18)9-3-10(13)11-8(4-14)5-15-16(11)6-9/h3,5-6,17H,7H2,1-2H3
InChIKeyLOTXZIODHOPOMM-UHFFFAOYSA-N
XLogP1.85
TPSA78.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.22
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-bromo-6-(2-hydroxy-2-methylpropyl)sulfinylpyrazolo[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-(2-hydroxy-2-methylpropyl)sulfinylpyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 4-bromo-6-(2-hydroxy-2-methylpropyl)sulfinylpyrazolo[1,5-a]pyridine-3-carbonitrile (CID 155296201) is 4-bromo-6-(2-hydroxy-2-methylpropyl)sulfinylpyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 4-bromo-6-(2-hydroxy-2-methylpropyl)sulfinylpyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 4-bromo-6-(2-hydroxy-2-methylpropyl)sulfinylpyrazolo[1,5-a]pyridine-3-carbonitrile is CC(C)(O)CS(=O)c1cc(Br)c2c(C#N)cnn2c1.
What is the InChIKey of 4-bromo-6-(2-hydroxy-2-methylpropyl)sulfinylpyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is LOTXZIODHOPOMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3O2S/c1-12(2,17)7-19(18)9-3-10(13)11-8(4-14)5-15-16(11)6-9/h3,5-6,17H,7H2,1-2H3.
What are the key properties of 4-bromo-6-(2-hydroxy-2-methylpropyl)sulfinylpyrazolo[1,5-a]pyridine-3-carbonitrile?
4-bromo-6-(2-hydroxy-2-methylpropyl)sulfinylpyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 342.22 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6-(2-hydroxy-2-methylpropyl)sulfinylpyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 155296201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).