6-[2-(azetidin-1-yl)ethoxy]-4-bromopyrazolo[1,5-a]pyridine-3-carbonitrile

C13H13BrN4O — CID 134435501

IUPAC6-[2-(azetidin-1-yl)ethoxy]-4-bromopyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESN#Cc1cnn2cc(OCCN3CCC3)cc(Br)c12
InChIInChI=1S/C13H13BrN4O/c14-12-6-11(19-5-4-17-2-1-3-17)9-18-13(12)10(7-15)8-16-18/h6,8-9H,1-5H2
InChIKeyMQZBIIDXXGZNPY-UHFFFAOYSA-N
MW321.18 g/mol
LogP2.05
Rot. Bonds4

About 6-[2-(azetidin-1-yl)ethoxy]-4-bromopyrazolo[1,5-a]pyridine-3-carbonitrile

6-[2-(azetidin-1-yl)ethoxy]-4-bromopyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 134435501) has the molecular formula C13H13BrN4O and a molecular weight of 321.18 g/mol. Its IUPAC name is 6-[2-(azetidin-1-yl)ethoxy]-4-bromopyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[2-(azetidin-1-yl)ethoxy]-4-bromopyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID134435501
Molecular FormulaC13H13BrN4O
Molecular Weight321.18 g/mol
Exact Mass320.03
IUPAC Name6-[2-(azetidin-1-yl)ethoxy]-4-bromopyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESN#Cc1cnn2cc(OCCN3CCC3)cc(Br)c12
InChIInChI=1S/C13H13BrN4O/c14-12-6-11(19-5-4-17-2-1-3-17)9-18-13(12)10(7-15)8-16-18/h6,8-9H,1-5H2
InChIKeyMQZBIIDXXGZNPY-UHFFFAOYSA-N
XLogP2.05
TPSA53.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.18
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[3-cyano-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]oxyboronic acid
CID 142754833
4-bromo-6-[[(2R)-4-tert-butylmorpholin-2-yl]methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 161297896
4-(5-bromopyrimidin-2-yl)-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134496987
4-[5-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134435657
2-methyl-4-(2-pyrrolidin-1-ylethoxy)benzonitrile
CID 81281553
4-[6-(1-methylidene-1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 167679021
4-[5-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;dihydrochloride
CID 134496945
4-[6-(1,7-diazaspiro[3.5]nonan-7-yl)-3-pyridinyl]-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;dihydrochloride
CID 134496096
6-(2-hydroxy-2-methylpropoxy)-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile
CID 138521644
N-[1-[5-[3-cyano-6-(2-pyrrolidin-1-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-5-fluoro-2-methylbenzamide
CID 134497117
5-bromo-2-(2-pyrrolidin-1-ylethoxy)benzonitrile
CID 22682611
6-(2-morpholin-4-ylethoxy)-4-[6-(3-pyridin-2-yloxyazetidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134435148

Frequently Asked Questions

What is the IUPAC name of 6-[2-(azetidin-1-yl)ethoxy]-4-bromopyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 6-[2-(azetidin-1-yl)ethoxy]-4-bromopyrazolo[1,5-a]pyridine-3-carbonitrile (CID 134435501) is 6-[2-(azetidin-1-yl)ethoxy]-4-bromopyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[2-(azetidin-1-yl)ethoxy]-4-bromopyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 6-[2-(azetidin-1-yl)ethoxy]-4-bromopyrazolo[1,5-a]pyridine-3-carbonitrile is N#Cc1cnn2cc(OCCN3CCC3)cc(Br)c12.
What is the InChIKey of 6-[2-(azetidin-1-yl)ethoxy]-4-bromopyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is MQZBIIDXXGZNPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN4O/c14-12-6-11(19-5-4-17-2-1-3-17)9-18-13(12)10(7-15)8-16-18/h6,8-9H,1-5H2.
What are the key properties of 6-[2-(azetidin-1-yl)ethoxy]-4-bromopyrazolo[1,5-a]pyridine-3-carbonitrile?
6-[2-(azetidin-1-yl)ethoxy]-4-bromopyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 321.18 g/mol, XLogP of 2.05, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(azetidin-1-yl)ethoxy]-4-bromopyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 134435501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).