2-[6-[3-(trifluoromethyl)phenyl]pyrazolo[4,5-b]pyridin-1-yl]acetic acid

C15H10F3N3O2 — CID 155389957

IUPAC2-[6-[3-(trifluoromethyl)phenyl]pyrazolo[4,5-b]pyridin-1-yl]acetic acid
SMILESO=C(O)Cn1ncc2ncc(-c3cccc(C(F)(F)F)c3)cc21
InChIInChI=1S/C15H10F3N3O2/c16-15(17,18)11-3-1-2-9(4-11)10-5-13-12(19-6-10)7-20-21(13)8-14(22)23/h1-7H,8H2,(H,22,23)
InChIKeyXOPUASZQMFEXSQ-UHFFFAOYSA-N
MW321.26 g/mol
LogP3.20
Rot. Bonds3

About 2-[6-[3-(trifluoromethyl)phenyl]pyrazolo[4,5-b]pyridin-1-yl]acetic acid

2-[6-[3-(trifluoromethyl)phenyl]pyrazolo[4,5-b]pyridin-1-yl]acetic acid (PubChem CID 155389957) has the molecular formula C15H10F3N3O2 and a molecular weight of 321.26 g/mol. Its IUPAC name is 2-[6-[3-(trifluoromethyl)phenyl]pyrazolo[4,5-b]pyridin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[6-[3-(trifluoromethyl)phenyl]pyrazolo[4,5-b]pyridin-1-yl]acetic acid
PubChem CID155389957
Molecular FormulaC15H10F3N3O2
Molecular Weight321.26 g/mol
Exact Mass321.07
IUPAC Name2-[6-[3-(trifluoromethyl)phenyl]pyrazolo[4,5-b]pyridin-1-yl]acetic acid
SMILESO=C(O)Cn1ncc2ncc(-c3cccc(C(F)(F)F)c3)cc21
InChIInChI=1S/C15H10F3N3O2/c16-15(17,18)11-3-1-2-9(4-11)10-5-13-12(19-6-10)7-20-21(13)8-14(22)23/h1-7H,8H2,(H,22,23)
InChIKeyXOPUASZQMFEXSQ-UHFFFAOYSA-N
XLogP3.20
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.26
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[6-[3-(trifluoromethyl)phenyl]pyrazolo[4,5-b]pyridin-1-yl]acetic acid 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-(pyridin-3-ylmethyl)-6-[3-(trifluoromethyl)phenyl]pyrazolo[4,5-b]pyridine
CID 155389439
2-[2-oxo-6-[3-(trifluoromethyl)phenyl]-3-tritylimidazo[4,5-b]pyridin-1-yl]acetic acid
CID 134489911
1-(pyridazin-3-ylmethyl)-6-[3-(trifluoromethyl)phenyl]pyrazolo[4,5-b]pyridine
CID 155388937
1-[(5-bromo-3-pyridinyl)methyl]-6-[3-(trifluoromethyl)phenyl]pyrazolo[4,5-b]pyridine
CID 155389377
1-[[(2R)-oxolan-2-yl]methyl]-6-[3-(trifluoromethyl)phenyl]pyrazolo[4,5-b]pyridine
CID 175730577
1-cyclopropyl-2-[6-(3-methylphenyl)pyrazolo[4,5-b]pyridin-1-yl]ethanone
CID 155386155
1-cyclopropyl-2-[6-[3-(trifluoromethoxy)phenyl]pyrazolo[4,5-b]pyridin-1-yl]ethanone
CID 155386021
2-[4-oxo-2-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-d][1,2,4]triazin-5-yl]acetic acid
CID 56771106
ethyl 2-[2-oxo-6-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-b]pyridin-1-yl]acetate
CID 134494024
1-(3,3-difluoroazetidin-1-yl)-2-[6-[6-(trifluoromethyl)-2-pyridinyl]pyrazolo[4,5-b]pyridin-1-yl]ethanone
CID 155389809
ethyl 2-oxo-6-[3-(trifluoromethyl)phenyl]-3-tritylimidazo[4,5-b]pyridine-1-carboxylate
CID 140869506
1-(2-cyclobutyl-2-oxoethyl)-6-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-b]pyridin-2-one
CID 134493753

Frequently Asked Questions

What is the IUPAC name of 2-[6-[3-(trifluoromethyl)phenyl]pyrazolo[4,5-b]pyridin-1-yl]acetic acid?
The IUPAC name of 2-[6-[3-(trifluoromethyl)phenyl]pyrazolo[4,5-b]pyridin-1-yl]acetic acid (CID 155389957) is 2-[6-[3-(trifluoromethyl)phenyl]pyrazolo[4,5-b]pyridin-1-yl]acetic acid.
What is the SMILES notation for 2-[6-[3-(trifluoromethyl)phenyl]pyrazolo[4,5-b]pyridin-1-yl]acetic acid?
The canonical SMILES for 2-[6-[3-(trifluoromethyl)phenyl]pyrazolo[4,5-b]pyridin-1-yl]acetic acid is O=C(O)Cn1ncc2ncc(-c3cccc(C(F)(F)F)c3)cc21.
What is the InChIKey of 2-[6-[3-(trifluoromethyl)phenyl]pyrazolo[4,5-b]pyridin-1-yl]acetic acid?
The InChIKey is XOPUASZQMFEXSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3N3O2/c16-15(17,18)11-3-1-2-9(4-11)10-5-13-12(19-6-10)7-20-21(13)8-14(22)23/h1-7H,8H2,(H,22,23).
What are the key properties of 2-[6-[3-(trifluoromethyl)phenyl]pyrazolo[4,5-b]pyridin-1-yl]acetic acid?
2-[6-[3-(trifluoromethyl)phenyl]pyrazolo[4,5-b]pyridin-1-yl]acetic acid has a molecular weight of 321.26 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[3-(trifluoromethyl)phenyl]pyrazolo[4,5-b]pyridin-1-yl]acetic acid is sourced from PubChem (CID 155389957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).