2-(2,3-difluorophenyl)-1-(2H-pyrazolo[3,4-b]pyridin-3-yl)ethanone

C14H9F2N3O — CID 59832206

IUPAC2-(2,3-difluorophenyl)-1-(2H-pyrazolo[3,4-b]pyridin-3-yl)ethanone
SMILESO=C(Cc1cccc(F)c1F)c1[nH]nc2ncccc12
InChIInChI=1S/C14H9F2N3O/c15-10-5-1-3-8(12(10)16)7-11(20)13-9-4-2-6-17-14(9)19-18-13/h1-6H,7H2,(H,17,18,19)
InChIKeyWJVYCQNNPJSFKD-UHFFFAOYSA-N
MW273.24 g/mol
LogP2.66
Rot. Bonds3

About 2-(2,3-difluorophenyl)-1-(2H-pyrazolo[3,4-b]pyridin-3-yl)ethanone

2-(2,3-difluorophenyl)-1-(2H-pyrazolo[3,4-b]pyridin-3-yl)ethanone (PubChem CID 59832206) has the molecular formula C14H9F2N3O and a molecular weight of 273.24 g/mol. Its IUPAC name is 2-(2,3-difluorophenyl)-1-(2H-pyrazolo[3,4-b]pyridin-3-yl)ethanone.

Molecular Properties

Compound Name2-(2,3-difluorophenyl)-1-(2H-pyrazolo[3,4-b]pyridin-3-yl)ethanone
PubChem CID59832206
Molecular FormulaC14H9F2N3O
Molecular Weight273.24 g/mol
Exact Mass273.07
IUPAC Name2-(2,3-difluorophenyl)-1-(2H-pyrazolo[3,4-b]pyridin-3-yl)ethanone
SMILESO=C(Cc1cccc(F)c1F)c1[nH]nc2ncccc12
InChIInChI=1S/C14H9F2N3O/c15-10-5-1-3-8(12(10)16)7-11(20)13-9-4-2-6-17-14(9)19-18-13/h1-6H,7H2,(H,17,18,19)
InChIKeyWJVYCQNNPJSFKD-UHFFFAOYSA-N
XLogP2.66
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.24
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2,3-difluorophenyl)-1-(2H-pyrazolo[3,4-b]pyridin-3-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2H-pyrazolo[3,4-b]pyridin-3-yl)propan-1-one
CID 134369259
2-(methylamino)-1-(2H-pyrazolo[3,4-b]pyridin-3-yl)ethanone
CID 84662548
2-(2,3-difluorophenyl)-1-quinolin-8-ylethanone
CID 115790827
2-(2,3-difluorophenyl)-1-(2,6-difluorophenyl)ethanone
CID 79522311
2-(2,3-difluorophenyl)-1-pyrazin-2-ylethanone
CID 62621724
2-(2,3-difluorophenyl)acetic acid;hydrochloride
CID 172702403
2-(2,3-difluorophenyl)-1-(5-methylpyrazin-2-yl)ethanone
CID 105091145
2-[3-(2H-pyrazolo[3,4-b]pyridin-3-yl)phenyl]acetic acid
CID 155918517
2H-pyrazolo[3,4-b]pyridin-3-amine;hydrochloride
CID 155662054
[(3aS,7aR)-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-(2H-pyrazolo[3,4-b]pyridin-3-yl)methanone
CID 167808185
11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-yl(2H-pyrazolo[3,4-b]pyridin-3-yl)methanone
CID 167910121
2-(2,3-difluorophenyl)-1-(2-ethylpyrazol-3-yl)ethanone
CID 114972520

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-difluorophenyl)-1-(2H-pyrazolo[3,4-b]pyridin-3-yl)ethanone?
The IUPAC name of 2-(2,3-difluorophenyl)-1-(2H-pyrazolo[3,4-b]pyridin-3-yl)ethanone (CID 59832206) is 2-(2,3-difluorophenyl)-1-(2H-pyrazolo[3,4-b]pyridin-3-yl)ethanone.
What is the SMILES notation for 2-(2,3-difluorophenyl)-1-(2H-pyrazolo[3,4-b]pyridin-3-yl)ethanone?
The canonical SMILES for 2-(2,3-difluorophenyl)-1-(2H-pyrazolo[3,4-b]pyridin-3-yl)ethanone is O=C(Cc1cccc(F)c1F)c1[nH]nc2ncccc12.
What is the InChIKey of 2-(2,3-difluorophenyl)-1-(2H-pyrazolo[3,4-b]pyridin-3-yl)ethanone?
The InChIKey is WJVYCQNNPJSFKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F2N3O/c15-10-5-1-3-8(12(10)16)7-11(20)13-9-4-2-6-17-14(9)19-18-13/h1-6H,7H2,(H,17,18,19).
What are the key properties of 2-(2,3-difluorophenyl)-1-(2H-pyrazolo[3,4-b]pyridin-3-yl)ethanone?
2-(2,3-difluorophenyl)-1-(2H-pyrazolo[3,4-b]pyridin-3-yl)ethanone has a molecular weight of 273.24 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-difluorophenyl)-1-(2H-pyrazolo[3,4-b]pyridin-3-yl)ethanone is sourced from PubChem (CID 59832206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).