6-(2-fluorophenyl)-3-(4-fluorophenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid

C19H11F2N3O2 — CID 22548814

IUPAC6-(2-fluorophenyl)-3-(4-fluorophenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(-c2ccccc2F)nc2n[nH]c(-c3ccc(F)cc3)c12
InChIInChI=1S/C19H11F2N3O2/c20-11-7-5-10(6-8-11)17-16-13(19(25)26)9-15(22-18(16)24-23-17)12-3-1-2-4-14(12)21/h1-9H,(H,25,26)(H,22,23,24)
InChIKeyZSNPWVDJODRAHF-UHFFFAOYSA-N
MW351.31 g/mol
LogP4.27
Rot. Bonds3

About 6-(2-fluorophenyl)-3-(4-fluorophenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid

6-(2-fluorophenyl)-3-(4-fluorophenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid (PubChem CID 22548814) has the molecular formula C19H11F2N3O2 and a molecular weight of 351.31 g/mol. Its IUPAC name is 6-(2-fluorophenyl)-3-(4-fluorophenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name6-(2-fluorophenyl)-3-(4-fluorophenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
PubChem CID22548814
Molecular FormulaC19H11F2N3O2
Molecular Weight351.31 g/mol
Exact Mass351.08
IUPAC Name6-(2-fluorophenyl)-3-(4-fluorophenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(-c2ccccc2F)nc2n[nH]c(-c3ccc(F)cc3)c12
InChIInChI=1S/C19H11F2N3O2/c20-11-7-5-10(6-8-11)17-16-13(19(25)26)9-15(22-18(16)24-23-17)12-3-1-2-4-14(12)21/h1-9H,(H,25,26)(H,22,23,24)
InChIKeyZSNPWVDJODRAHF-UHFFFAOYSA-N
XLogP4.27
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.31
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(2-fluorophenyl)-3-(4-fluorophenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid?
The IUPAC name of 6-(2-fluorophenyl)-3-(4-fluorophenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid (CID 22548814) is 6-(2-fluorophenyl)-3-(4-fluorophenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid.
What is the SMILES notation for 6-(2-fluorophenyl)-3-(4-fluorophenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid?
The canonical SMILES for 6-(2-fluorophenyl)-3-(4-fluorophenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid is O=C(O)c1cc(-c2ccccc2F)nc2n[nH]c(-c3ccc(F)cc3)c12.
What is the InChIKey of 6-(2-fluorophenyl)-3-(4-fluorophenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid?
The InChIKey is ZSNPWVDJODRAHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11F2N3O2/c20-11-7-5-10(6-8-11)17-16-13(19(25)26)9-15(22-18(16)24-23-17)12-3-1-2-4-14(12)21/h1-9H,(H,25,26)(H,22,23,24).
What are the key properties of 6-(2-fluorophenyl)-3-(4-fluorophenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid?
6-(2-fluorophenyl)-3-(4-fluorophenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid has a molecular weight of 351.31 g/mol, XLogP of 4.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluorophenyl)-3-(4-fluorophenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid is sourced from PubChem (CID 22548814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).