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

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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).