6-bromo-4-(2-cyanophenyl)sulfanylpyrazolo[1,5-a]pyridine-3-carbonitrile

C15H7BrN4S — CID 171848480

IUPAC6-bromo-4-(2-cyanophenyl)sulfanylpyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESN#Cc1ccccc1Sc1cc(Br)cn2ncc(C#N)c12
InChIInChI=1S/C15H7BrN4S/c16-12-5-14(15-11(7-18)8-19-20(15)9-12)21-13-4-2-1-3-10(13)6-17/h1-5,8-9H
InChIKeyBTNHJPOIJKNSGI-UHFFFAOYSA-N
MW355.22 g/mol
LogP3.99
Rot. Bonds2

About 6-bromo-4-(2-cyanophenyl)sulfanylpyrazolo[1,5-a]pyridine-3-carbonitrile

6-bromo-4-(2-cyanophenyl)sulfanylpyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 171848480) has the molecular formula C15H7BrN4S and a molecular weight of 355.22 g/mol. Its IUPAC name is 6-bromo-4-(2-cyanophenyl)sulfanylpyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-bromo-4-(2-cyanophenyl)sulfanylpyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID171848480
Molecular FormulaC15H7BrN4S
Molecular Weight355.22 g/mol
Exact Mass353.96
IUPAC Name6-bromo-4-(2-cyanophenyl)sulfanylpyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESN#Cc1ccccc1Sc1cc(Br)cn2ncc(C#N)c12
InChIInChI=1S/C15H7BrN4S/c16-12-5-14(15-11(7-18)8-19-20(15)9-12)21-13-4-2-1-3-10(13)6-17/h1-5,8-9H
InChIKeyBTNHJPOIJKNSGI-UHFFFAOYSA-N
XLogP3.99
TPSA64.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.22
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-(2-cyanophenyl)sulfanylpyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 6-bromo-4-(2-cyanophenyl)sulfanylpyrazolo[1,5-a]pyridine-3-carbonitrile (CID 171848480) is 6-bromo-4-(2-cyanophenyl)sulfanylpyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 6-bromo-4-(2-cyanophenyl)sulfanylpyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 6-bromo-4-(2-cyanophenyl)sulfanylpyrazolo[1,5-a]pyridine-3-carbonitrile is N#Cc1ccccc1Sc1cc(Br)cn2ncc(C#N)c12.
What is the InChIKey of 6-bromo-4-(2-cyanophenyl)sulfanylpyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is BTNHJPOIJKNSGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7BrN4S/c16-12-5-14(15-11(7-18)8-19-20(15)9-12)21-13-4-2-1-3-10(13)6-17/h1-5,8-9H.
What are the key properties of 6-bromo-4-(2-cyanophenyl)sulfanylpyrazolo[1,5-a]pyridine-3-carbonitrile?
6-bromo-4-(2-cyanophenyl)sulfanylpyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 355.22 g/mol, XLogP of 3.99, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-(2-cyanophenyl)sulfanylpyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 171848480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).