1-(5-chloro-1-methylpyrazolo[5,4-b]pyridin-3-yl)ethanone

C9H8ClN3O — CID 171157485

IUPAC1-(5-chloro-1-methylpyrazolo[5,4-b]pyridin-3-yl)ethanone
SMILESCC(=O)c1nn(C)c2ncc(Cl)cc12
InChIInChI=1S/C9H8ClN3O/c1-5(14)8-7-3-6(10)4-11-9(7)13(2)12-8/h3-4H,1-2H3
InChIKeyJGZWYQXWUAOBBZ-UHFFFAOYSA-N
MW209.64 g/mol
LogP1.82
Rot. Bonds1

About 1-(5-chloro-1-methylpyrazolo[5,4-b]pyridin-3-yl)ethanone

1-(5-chloro-1-methylpyrazolo[5,4-b]pyridin-3-yl)ethanone (PubChem CID 171157485) has the molecular formula C9H8ClN3O and a molecular weight of 209.64 g/mol. Its IUPAC name is 1-(5-chloro-1-methylpyrazolo[5,4-b]pyridin-3-yl)ethanone.

Molecular Properties

Compound Name1-(5-chloro-1-methylpyrazolo[5,4-b]pyridin-3-yl)ethanone
PubChem CID171157485
Molecular FormulaC9H8ClN3O
Molecular Weight209.64 g/mol
Exact Mass209.04
IUPAC Name1-(5-chloro-1-methylpyrazolo[5,4-b]pyridin-3-yl)ethanone
SMILESCC(=O)c1nn(C)c2ncc(Cl)cc12
InChIInChI=1S/C9H8ClN3O/c1-5(14)8-7-3-6(10)4-11-9(7)13(2)12-8/h3-4H,1-2H3
InChIKeyJGZWYQXWUAOBBZ-UHFFFAOYSA-N
XLogP1.82
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.64
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-1-methylpyrazolo[5,4-b]pyridin-3-yl)ethanone?
The IUPAC name of 1-(5-chloro-1-methylpyrazolo[5,4-b]pyridin-3-yl)ethanone (CID 171157485) is 1-(5-chloro-1-methylpyrazolo[5,4-b]pyridin-3-yl)ethanone.
What is the SMILES notation for 1-(5-chloro-1-methylpyrazolo[5,4-b]pyridin-3-yl)ethanone?
The canonical SMILES for 1-(5-chloro-1-methylpyrazolo[5,4-b]pyridin-3-yl)ethanone is CC(=O)c1nn(C)c2ncc(Cl)cc12.
What is the InChIKey of 1-(5-chloro-1-methylpyrazolo[5,4-b]pyridin-3-yl)ethanone?
The InChIKey is JGZWYQXWUAOBBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN3O/c1-5(14)8-7-3-6(10)4-11-9(7)13(2)12-8/h3-4H,1-2H3.
What are the key properties of 1-(5-chloro-1-methylpyrazolo[5,4-b]pyridin-3-yl)ethanone?
1-(5-chloro-1-methylpyrazolo[5,4-b]pyridin-3-yl)ethanone has a molecular weight of 209.64 g/mol, XLogP of 1.82, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-1-methylpyrazolo[5,4-b]pyridin-3-yl)ethanone is sourced from PubChem (CID 171157485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).