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

C19H12N4O4 — CID 155684732

IUPAC6-(4-carboxyphenyl)-3-pyridin-4-yl-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccc(-c2cc(C(=O)O)c3c(-c4ccncc4)[nH]nc3n2)cc1
InChIInChI=1S/C19H12N4O4/c24-18(25)12-3-1-10(2-4-12)14-9-13(19(26)27)15-16(22-23-17(15)21-14)11-5-7-20-8-6-11/h1-9H,(H,24,25)(H,26,27)(H,21,22,23)
InChIKeyGLPQSFHBOLGMPQ-UHFFFAOYSA-N
MW360.33 g/mol
LogP3.08
Rot. Bonds4

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

6-(4-carboxyphenyl)-3-pyridin-4-yl-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid (PubChem CID 155684732) has the molecular formula C19H12N4O4 and a molecular weight of 360.33 g/mol. Its IUPAC name is 6-(4-carboxyphenyl)-3-pyridin-4-yl-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name6-(4-carboxyphenyl)-3-pyridin-4-yl-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
PubChem CID155684732
Molecular FormulaC19H12N4O4
Molecular Weight360.33 g/mol
Exact Mass360.09
IUPAC Name6-(4-carboxyphenyl)-3-pyridin-4-yl-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccc(-c2cc(C(=O)O)c3c(-c4ccncc4)[nH]nc3n2)cc1
InChIInChI=1S/C19H12N4O4/c24-18(25)12-3-1-10(2-4-12)14-9-13(19(26)27)15-16(22-23-17(15)21-14)11-5-7-20-8-6-11/h1-9H,(H,24,25)(H,26,27)(H,21,22,23)
InChIKeyGLPQSFHBOLGMPQ-UHFFFAOYSA-N
XLogP3.08
TPSA129.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.33
LogP ≤ 53.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 6-(4-carboxyphenyl)-3-pyridin-4-yl-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid with MolForge

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Related Compounds

3-(4-methylphenyl)-6-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 126458786
6-(4-chlorophenyl)-3-(4-fluorophenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 22548743
3-(4-fluorophenyl)-6-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 22548747
3-(4-chlorophenyl)-6-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 71821260
6-(4-ethylphenyl)-3-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 22548899
6-(2-fluorophenyl)-3-(4-fluorophenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 22548814
6-(3-methoxyphenyl)-3-(4-methylphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 22548804
6-(2,3-dihydroxyphenyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 135572693
6-(3-bromophenyl)-3-(4-ethylphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 22548932
2,6-dipyridin-4-ylpyridine-4-carboxylic acid
CID 46316682
ethyl 6-(4-methoxycarbonylphenyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-4-carboxylate
CID 155684834
6-(5-bromo-2-fluorophenyl)-3-(4-methylphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 22548858

Frequently Asked Questions

What is the IUPAC name of 6-(4-carboxyphenyl)-3-pyridin-4-yl-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid?
The IUPAC name of 6-(4-carboxyphenyl)-3-pyridin-4-yl-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid (CID 155684732) is 6-(4-carboxyphenyl)-3-pyridin-4-yl-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid.
What is the SMILES notation for 6-(4-carboxyphenyl)-3-pyridin-4-yl-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid?
The canonical SMILES for 6-(4-carboxyphenyl)-3-pyridin-4-yl-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid is O=C(O)c1ccc(-c2cc(C(=O)O)c3c(-c4ccncc4)[nH]nc3n2)cc1.
What is the InChIKey of 6-(4-carboxyphenyl)-3-pyridin-4-yl-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid?
The InChIKey is GLPQSFHBOLGMPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12N4O4/c24-18(25)12-3-1-10(2-4-12)14-9-13(19(26)27)15-16(22-23-17(15)21-14)11-5-7-20-8-6-11/h1-9H,(H,24,25)(H,26,27)(H,21,22,23).
What are the key properties of 6-(4-carboxyphenyl)-3-pyridin-4-yl-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid?
6-(4-carboxyphenyl)-3-pyridin-4-yl-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid has a molecular weight of 360.33 g/mol, XLogP of 3.08, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-carboxyphenyl)-3-pyridin-4-yl-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid is sourced from PubChem (CID 155684732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).