1-benzyl-6-(trifluoromethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid

C15H10F3N3O2 — CID 165460221

IUPAC1-benzyl-6-(trifluoromethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(C(F)(F)F)nc2c1cnn2Cc1ccccc1
InChIInChI=1S/C15H10F3N3O2/c16-15(17,18)12-6-10(14(22)23)11-7-19-21(13(11)20-12)8-9-4-2-1-3-5-9/h1-7H,8H2,(H,22,23)
InChIKeyPAGVHJIWBKNBFX-UHFFFAOYSA-N
MW321.26 g/mol
LogP3.20
Rot. Bonds3

About 1-benzyl-6-(trifluoromethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid

1-benzyl-6-(trifluoromethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid (PubChem CID 165460221) has the molecular formula C15H10F3N3O2 and a molecular weight of 321.26 g/mol. Its IUPAC name is 1-benzyl-6-(trifluoromethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name1-benzyl-6-(trifluoromethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
PubChem CID165460221
Molecular FormulaC15H10F3N3O2
Molecular Weight321.26 g/mol
Exact Mass321.07
IUPAC Name1-benzyl-6-(trifluoromethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(C(F)(F)F)nc2c1cnn2Cc1ccccc1
InChIInChI=1S/C15H10F3N3O2/c16-15(17,18)12-6-10(14(22)23)11-7-19-21(13(11)20-12)8-9-4-2-1-3-5-9/h1-7H,8H2,(H,22,23)
InChIKeyPAGVHJIWBKNBFX-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 1-benzyl-6-(trifluoromethyl)pyrazolo[5,4-b]pyridine-4-carboxylic 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-benzyl-6-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 113220360
6-methyl-1-(pyridin-3-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 16793223
1-benzyl-5-fluoropyrazole-4-carboxylic acid
CID 115031839
6-ethyl-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 25252382
2-oxopropyl 1-benzyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 46696750
1-[(4-chlorophenyl)methyl]-6-(furan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 4962711
1,5-dibenzylpyrazole-4-carboxylic acid
CID 121436106
1-butyl-6-tert-butylpyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 104708905
1-(pyridin-4-ylmethyl)-6-quinolin-8-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 71601060
1-benzyl-4-(4-methyl-1,4-diazepan-1-yl)-6-(trifluoromethyl)pyrazolo[5,4-d]pyrimidine
CID 75460793
N-[(1-benzylpyrazol-4-yl)methyl]-N,6-dimethyl-1-[(4-methylphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxamide
CID 46650100
1-benzyl-N-(2-methylsulfonylphenyl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55535001

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-6-(trifluoromethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid?
The IUPAC name of 1-benzyl-6-(trifluoromethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid (CID 165460221) is 1-benzyl-6-(trifluoromethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid.
What is the SMILES notation for 1-benzyl-6-(trifluoromethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid?
The canonical SMILES for 1-benzyl-6-(trifluoromethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid is O=C(O)c1cc(C(F)(F)F)nc2c1cnn2Cc1ccccc1.
What is the InChIKey of 1-benzyl-6-(trifluoromethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid?
The InChIKey is PAGVHJIWBKNBFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3N3O2/c16-15(17,18)12-6-10(14(22)23)11-7-19-21(13(11)20-12)8-9-4-2-1-3-5-9/h1-7H,8H2,(H,22,23).
What are the key properties of 1-benzyl-6-(trifluoromethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid?
1-benzyl-6-(trifluoromethyl)pyrazolo[5,4-b]pyridine-4-carboxylic 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 1-benzyl-6-(trifluoromethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid is sourced from PubChem (CID 165460221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).