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

C19H12FN3O3 — CID 135845548

IUPAC3-(4-fluorophenyl)-6-(4-hydroxyphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(O)cc2)nc2n[nH]c(-c3ccc(F)cc3)c12
InChIInChI=1S/C19H12FN3O3/c20-12-5-1-11(2-6-12)17-16-14(19(25)26)9-15(21-18(16)23-22-17)10-3-7-13(24)8-4-10/h1-9,24H,(H,25,26)(H,21,22,23)
InChIKeyRNTCEWMFPJVOAN-UHFFFAOYSA-N
MW349.32 g/mol
LogP3.83
Rot. Bonds3

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

3-(4-fluorophenyl)-6-(4-hydroxyphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid (PubChem CID 135845548) has the molecular formula C19H12FN3O3 and a molecular weight of 349.32 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-6-(4-hydroxyphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-(4-fluorophenyl)-6-(4-hydroxyphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
PubChem CID135845548
Molecular FormulaC19H12FN3O3
Molecular Weight349.32 g/mol
Exact Mass349.09
IUPAC Name3-(4-fluorophenyl)-6-(4-hydroxyphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(O)cc2)nc2n[nH]c(-c3ccc(F)cc3)c12
InChIInChI=1S/C19H12FN3O3/c20-12-5-1-11(2-6-12)17-16-14(19(25)26)9-15(21-18(16)23-22-17)10-3-7-13(24)8-4-10/h1-9,24H,(H,25,26)(H,21,22,23)
InChIKeyRNTCEWMFPJVOAN-UHFFFAOYSA-N
XLogP3.83
TPSA99.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.32
LogP ≤ 53.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-(4-hydroxyphenyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]cyclopropanecarboxamide
CID 135435008
3-(4-methoxyphenyl)-6-(3,4,5-trimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 16018592
3-phenyl-6-[4-(trifluoromethyl)phenyl]-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 16018596
1-(4-Fluorophenyl)-3-isopropyl-6-methyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 25247546
4-[3-(5-methylfuran-2-yl)-2H-pyrazolo[3,4-b]pyridin-6-yl]phenol
CID 141727076
6-Ethyl-1-(4-fluorophenyl)-3-pentan-3-yl-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 146036004
6-(4-acetamidophenyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 15988335
3-(4-fluorophenyl)-6-(3-methylphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 16018590
6-(2,5-dimethoxyphenyl)-3-(4-ethylphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 16018598
3-(6-(2,4-difluorophenylamino)-1H-pyrazolo[3,4-b]pyridin-3-yl)-4-methoxybenzoic acid
CID 44406042
6-(3-Hydroxyphenyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 71600112
1-[(4-Hydroxyphenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 71602212

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-6-(4-hydroxyphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid?
The IUPAC name of 3-(4-fluorophenyl)-6-(4-hydroxyphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid (CID 135845548) is 3-(4-fluorophenyl)-6-(4-hydroxyphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid.
What is the SMILES notation for 3-(4-fluorophenyl)-6-(4-hydroxyphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid?
The canonical SMILES for 3-(4-fluorophenyl)-6-(4-hydroxyphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid is O=C(O)c1cc(-c2ccc(O)cc2)nc2n[nH]c(-c3ccc(F)cc3)c12.
What is the InChIKey of 3-(4-fluorophenyl)-6-(4-hydroxyphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid?
The InChIKey is RNTCEWMFPJVOAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12FN3O3/c20-12-5-1-11(2-6-12)17-16-14(19(25)26)9-15(21-18(16)23-22-17)10-3-7-13(24)8-4-10/h1-9,24H,(H,25,26)(H,21,22,23).
What are the key properties of 3-(4-fluorophenyl)-6-(4-hydroxyphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid?
3-(4-fluorophenyl)-6-(4-hydroxyphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid has a molecular weight of 349.32 g/mol, XLogP of 3.83, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-6-(4-hydroxyphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid is sourced from PubChem (CID 135845548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).