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

C12H12F3N3O2 — CID 25247860

IUPAC2-[6-ethyl-3-methyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-1-yl]acetic acid
SMILESCCc1cc(C(F)(F)F)c2c(C)nn(CC(=O)O)c2n1
InChIInChI=1S/C12H12F3N3O2/c1-3-7-4-8(12(13,14)15)10-6(2)17-18(5-9(19)20)11(10)16-7/h4H,3,5H2,1-2H3,(H,19,20)
InChIKeyQYIXIAYMJXPWQO-UHFFFAOYSA-N
MW287.24 g/mol
LogP2.41
Rot. Bonds3

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

2-[6-ethyl-3-methyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-1-yl]acetic acid (PubChem CID 25247860) has the molecular formula C12H12F3N3O2 and a molecular weight of 287.24 g/mol. Its IUPAC name is 2-[6-ethyl-3-methyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[6-ethyl-3-methyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-1-yl]acetic acid
PubChem CID25247860
Molecular FormulaC12H12F3N3O2
Molecular Weight287.24 g/mol
Exact Mass287.09
IUPAC Name2-[6-ethyl-3-methyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-1-yl]acetic acid
SMILESCCc1cc(C(F)(F)F)c2c(C)nn(CC(=O)O)c2n1
InChIInChI=1S/C12H12F3N3O2/c1-3-7-4-8(12(13,14)15)10-6(2)17-18(5-9(19)20)11(10)16-7/h4H,3,5H2,1-2H3,(H,19,20)
InChIKeyQYIXIAYMJXPWQO-UHFFFAOYSA-N
XLogP2.41
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.24
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-Ethyl-3-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-methylamino]ethanol
CID 3231332
2-(1H-pyrazolo(3,4-b)pyridin-1-yl)acetic acid
CID 58622961
1-Cyclohexyl-3,4,6-trimethyl-1H-pyrazolo[3,4-b]pyridine
CID 755047
3,6-dimethyl-1-[2-(2H-tetrazol-5-yl)ethyl]-4-(trifluoromethyl)pyrazolo[3,4-b]pyridine
CID 2112419
3-[3-Methyl-6-pyridin-3-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]propanoic acid;hydrochloride
CID 6603642
5,7-Dimethyl-3-phenyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 732685
3-[3-Methyl-6-phenyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-1-yl]propanenitrile
CID 2323933
2-[3-Amino-6-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone
CID 72375329
5-Methyl-3-phenyl-7-pyridin-4-ylpyrazolo[1,5-a]pyrimidine;2,2,2-trifluoroacetic acid
CID 42640810
2-{5-methyl-1H-pyrazolo[3,4-b]pyridin-1-yl}acetic acid
CID 45602101
2-[3-cyclopropyl-6-phenyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl]acetic acid
CID 19625281
1,3,6-Trimethyl-4-(trifluoromethyl)-1H-pyrazolo(3,4-B)pyridine
CID 19586145

Frequently Asked Questions

What is the IUPAC name of 2-[6-ethyl-3-methyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-1-yl]acetic acid?
The IUPAC name of 2-[6-ethyl-3-methyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-1-yl]acetic acid (CID 25247860) is 2-[6-ethyl-3-methyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-1-yl]acetic acid.
What is the SMILES notation for 2-[6-ethyl-3-methyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-1-yl]acetic acid?
The canonical SMILES for 2-[6-ethyl-3-methyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-1-yl]acetic acid is CCc1cc(C(F)(F)F)c2c(C)nn(CC(=O)O)c2n1.
What is the InChIKey of 2-[6-ethyl-3-methyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-1-yl]acetic acid?
The InChIKey is QYIXIAYMJXPWQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3O2/c1-3-7-4-8(12(13,14)15)10-6(2)17-18(5-9(19)20)11(10)16-7/h4H,3,5H2,1-2H3,(H,19,20).
What are the key properties of 2-[6-ethyl-3-methyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-1-yl]acetic acid?
2-[6-ethyl-3-methyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-1-yl]acetic acid has a molecular weight of 287.24 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-ethyl-3-methyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-1-yl]acetic acid is sourced from PubChem (CID 25247860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).