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

C19H13N3O4 — CID 135572693

IUPAC6-(2,3-dihydroxyphenyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(-c2cccc(O)c2O)nc2n[nH]c(-c3ccccc3)c12
InChIInChI=1S/C19H13N3O4/c23-14-8-4-7-11(17(14)24)13-9-12(19(25)26)15-16(21-22-18(15)20-13)10-5-2-1-3-6-10/h1-9,23-24H,(H,25,26)(H,20,21,22)
InChIKeyVHZJXNMPMJBCND-UHFFFAOYSA-N
MW347.33 g/mol
LogP3.40
Rot. Bonds3

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

6-(2,3-dihydroxyphenyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid (PubChem CID 135572693) has the molecular formula C19H13N3O4 and a molecular weight of 347.33 g/mol. Its IUPAC name is 6-(2,3-dihydroxyphenyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name6-(2,3-dihydroxyphenyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
PubChem CID135572693
Molecular FormulaC19H13N3O4
Molecular Weight347.33 g/mol
Exact Mass347.09
IUPAC Name6-(2,3-dihydroxyphenyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(-c2cccc(O)c2O)nc2n[nH]c(-c3ccccc3)c12
InChIInChI=1S/C19H13N3O4/c23-14-8-4-7-11(17(14)24)13-9-12(19(25)26)15-16(21-22-18(15)20-13)10-5-2-1-3-6-10/h1-9,23-24H,(H,25,26)(H,20,21,22)
InChIKeyVHZJXNMPMJBCND-UHFFFAOYSA-N
XLogP3.40
TPSA119.33 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.33
LogP ≤ 53.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

6-(2-hydroxy-3-methoxyphenyl)-3-(4-methylphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 135572703
6-(2-fluorophenyl)-3-(4-fluorophenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 22548814
3-phenyl-6-(2,4,5-trimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 22548774
6-(3-ethoxy-2-hydroxyphenyl)-3-(4-ethylphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 135656857
6-(2-ethoxyphenyl)-3-(4-fluorophenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 22548883
3-(4-methylphenyl)-6-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 126458786
6-(3-methoxyphenyl)-3-(4-methylphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 22548804
6-(3-bromophenyl)-3-(4-ethylphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 22548932
6-(4-carboxyphenyl)-3-pyridin-4-yl-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 155684732
6-(4-chlorophenyl)-3-(4-fluorophenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 22548743
6-(5-bromo-2-fluorophenyl)-3-(4-methylphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 22548858
6-(3-chlorophenyl)-3-(4-ethoxyphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 22426563

Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dihydroxyphenyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid?
The IUPAC name of 6-(2,3-dihydroxyphenyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid (CID 135572693) is 6-(2,3-dihydroxyphenyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid.
What is the SMILES notation for 6-(2,3-dihydroxyphenyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid?
The canonical SMILES for 6-(2,3-dihydroxyphenyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid is O=C(O)c1cc(-c2cccc(O)c2O)nc2n[nH]c(-c3ccccc3)c12.
What is the InChIKey of 6-(2,3-dihydroxyphenyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid?
The InChIKey is VHZJXNMPMJBCND-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N3O4/c23-14-8-4-7-11(17(14)24)13-9-12(19(25)26)15-16(21-22-18(15)20-13)10-5-2-1-3-6-10/h1-9,23-24H,(H,25,26)(H,20,21,22).
What are the key properties of 6-(2,3-dihydroxyphenyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid?
6-(2,3-dihydroxyphenyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid has a molecular weight of 347.33 g/mol, XLogP of 3.40, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dihydroxyphenyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid is sourced from PubChem (CID 135572693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).