4-bromo-6-[2-(3,3-difluoroazetidin-1-yl)ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile

C13H11BrF2N4O — CID 134435502

IUPAC4-bromo-6-[2-(3,3-difluoroazetidin-1-yl)ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESN#Cc1cnn2cc(OCCN3CC(F)(F)C3)cc(Br)c12
InChIInChI=1S/C13H11BrF2N4O/c14-11-3-10(6-20-12(11)9(4-17)5-18-20)21-2-1-19-7-13(15,16)8-19/h3,5-6H,1-2,7-8H2
InChIKeyKRKPAJWNKMQLJA-UHFFFAOYSA-N
MW357.16 g/mol
LogP2.30
Rot. Bonds4

About 4-bromo-6-[2-(3,3-difluoroazetidin-1-yl)ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile

4-bromo-6-[2-(3,3-difluoroazetidin-1-yl)ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 134435502) has the molecular formula C13H11BrF2N4O and a molecular weight of 357.16 g/mol. Its IUPAC name is 4-bromo-6-[2-(3,3-difluoroazetidin-1-yl)ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-bromo-6-[2-(3,3-difluoroazetidin-1-yl)ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID134435502
Molecular FormulaC13H11BrF2N4O
Molecular Weight357.16 g/mol
Exact Mass356.01
IUPAC Name4-bromo-6-[2-(3,3-difluoroazetidin-1-yl)ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESN#Cc1cnn2cc(OCCN3CC(F)(F)C3)cc(Br)c12
InChIInChI=1S/C13H11BrF2N4O/c14-11-3-10(6-20-12(11)9(4-17)5-18-20)21-2-1-19-7-13(15,16)8-19/h3,5-6H,1-2,7-8H2
InChIKeyKRKPAJWNKMQLJA-UHFFFAOYSA-N
XLogP2.30
TPSA53.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.16
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-6-[2-(3,3-difluoroazetidin-1-yl)ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 4-bromo-6-[2-(3,3-difluoroazetidin-1-yl)ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 134435502) is 4-bromo-6-[2-(3,3-difluoroazetidin-1-yl)ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 4-bromo-6-[2-(3,3-difluoroazetidin-1-yl)ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 4-bromo-6-[2-(3,3-difluoroazetidin-1-yl)ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile is N#Cc1cnn2cc(OCCN3CC(F)(F)C3)cc(Br)c12.
What is the InChIKey of 4-bromo-6-[2-(3,3-difluoroazetidin-1-yl)ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is KRKPAJWNKMQLJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrF2N4O/c14-11-3-10(6-20-12(11)9(4-17)5-18-20)21-2-1-19-7-13(15,16)8-19/h3,5-6H,1-2,7-8H2.
What are the key properties of 4-bromo-6-[2-(3,3-difluoroazetidin-1-yl)ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile?
4-bromo-6-[2-(3,3-difluoroazetidin-1-yl)ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 357.16 g/mol, XLogP of 2.30, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6-[2-(3,3-difluoroazetidin-1-yl)ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 134435502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).