1-(1H-pyrazolo[4,3-b]pyridin-3-yl)ethanone

C8H7N3O — CID 76849284

IUPAC1-(1H-pyrazolo[4,3-b]pyridin-3-yl)ethanone
SMILESCC(=O)c1n[nH]c2cccnc12
InChIInChI=1S/C8H7N3O/c1-5(12)7-8-6(10-11-7)3-2-4-9-8/h2-4H,1H3,(H,10,11)
InChIKeyKFGXMRHEDKZLTD-UHFFFAOYSA-N
MW161.16 g/mol
LogP1.16
Rot. Bonds1

About 1-(1H-pyrazolo[4,3-b]pyridin-3-yl)ethanone

1-(1H-pyrazolo[4,3-b]pyridin-3-yl)ethanone (PubChem CID 76849284) has the molecular formula C8H7N3O and a molecular weight of 161.16 g/mol. Its IUPAC name is 1-(1H-pyrazolo[4,3-b]pyridin-3-yl)ethanone.

Molecular Properties

Compound Name1-(1H-pyrazolo[4,3-b]pyridin-3-yl)ethanone
PubChem CID76849284
Molecular FormulaC8H7N3O
Molecular Weight161.16 g/mol
Exact Mass161.06
IUPAC Name1-(1H-pyrazolo[4,3-b]pyridin-3-yl)ethanone
SMILESCC(=O)c1n[nH]c2cccnc12
InChIInChI=1S/C8H7N3O/c1-5(12)7-8-6(10-11-7)3-2-4-9-8/h2-4H,1H3,(H,10,11)
InChIKeyKFGXMRHEDKZLTD-UHFFFAOYSA-N
XLogP1.16
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-pyrazolo[4,3-b]pyridin-3-yl)ethanone?
The IUPAC name of 1-(1H-pyrazolo[4,3-b]pyridin-3-yl)ethanone (CID 76849284) is 1-(1H-pyrazolo[4,3-b]pyridin-3-yl)ethanone.
What is the SMILES notation for 1-(1H-pyrazolo[4,3-b]pyridin-3-yl)ethanone?
The canonical SMILES for 1-(1H-pyrazolo[4,3-b]pyridin-3-yl)ethanone is CC(=O)c1n[nH]c2cccnc12.
What is the InChIKey of 1-(1H-pyrazolo[4,3-b]pyridin-3-yl)ethanone?
The InChIKey is KFGXMRHEDKZLTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O/c1-5(12)7-8-6(10-11-7)3-2-4-9-8/h2-4H,1H3,(H,10,11).
What are the key properties of 1-(1H-pyrazolo[4,3-b]pyridin-3-yl)ethanone?
1-(1H-pyrazolo[4,3-b]pyridin-3-yl)ethanone has a molecular weight of 161.16 g/mol, XLogP of 1.16, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-pyrazolo[4,3-b]pyridin-3-yl)ethanone is sourced from PubChem (CID 76849284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).