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

C22H18N4O3 — CID 155554940

IUPAC4-(4-acetamidophenyl)-3-(4-methylphenyl)-2H-pyrazolo[3,4-b]pyridine-6-carboxylic acid
SMILESCC(=O)Nc1ccc(-c2cc(C(=O)O)nc3n[nH]c(-c4ccc(C)cc4)c23)cc1
InChIInChI=1S/C22H18N4O3/c1-12-3-5-15(6-4-12)20-19-17(11-18(22(28)29)24-21(19)26-25-20)14-7-9-16(10-8-14)23-13(2)27/h3-11H,1-2H3,(H,23,27)(H,28,29)(H,24,25,26)
InChIKeySKSXIJPDLTUJGI-UHFFFAOYSA-N
MW386.41 g/mol
LogP4.26
Rot. Bonds4

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

4-(4-acetamidophenyl)-3-(4-methylphenyl)-2H-pyrazolo[3,4-b]pyridine-6-carboxylic acid (PubChem CID 155554940) has the molecular formula C22H18N4O3 and a molecular weight of 386.41 g/mol. Its IUPAC name is 4-(4-acetamidophenyl)-3-(4-methylphenyl)-2H-pyrazolo[3,4-b]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name4-(4-acetamidophenyl)-3-(4-methylphenyl)-2H-pyrazolo[3,4-b]pyridine-6-carboxylic acid
PubChem CID155554940
Molecular FormulaC22H18N4O3
Molecular Weight386.41 g/mol
Exact Mass386.14
IUPAC Name4-(4-acetamidophenyl)-3-(4-methylphenyl)-2H-pyrazolo[3,4-b]pyridine-6-carboxylic acid
SMILESCC(=O)Nc1ccc(-c2cc(C(=O)O)nc3n[nH]c(-c4ccc(C)cc4)c23)cc1
InChIInChI=1S/C22H18N4O3/c1-12-3-5-15(6-4-12)20-19-17(11-18(22(28)29)24-21(19)26-25-20)14-7-9-16(10-8-14)23-13(2)27/h3-11H,1-2H3,(H,23,27)(H,28,29)(H,24,25,26)
InChIKeySKSXIJPDLTUJGI-UHFFFAOYSA-N
XLogP4.26
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 54.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-acetamidophenyl)-3-(4-methylphenyl)-2H-pyrazolo[3,4-b]pyridine-6-carboxylic acid?
The IUPAC name of 4-(4-acetamidophenyl)-3-(4-methylphenyl)-2H-pyrazolo[3,4-b]pyridine-6-carboxylic acid (CID 155554940) is 4-(4-acetamidophenyl)-3-(4-methylphenyl)-2H-pyrazolo[3,4-b]pyridine-6-carboxylic acid.
What is the SMILES notation for 4-(4-acetamidophenyl)-3-(4-methylphenyl)-2H-pyrazolo[3,4-b]pyridine-6-carboxylic acid?
The canonical SMILES for 4-(4-acetamidophenyl)-3-(4-methylphenyl)-2H-pyrazolo[3,4-b]pyridine-6-carboxylic acid is CC(=O)Nc1ccc(-c2cc(C(=O)O)nc3n[nH]c(-c4ccc(C)cc4)c23)cc1.
What is the InChIKey of 4-(4-acetamidophenyl)-3-(4-methylphenyl)-2H-pyrazolo[3,4-b]pyridine-6-carboxylic acid?
The InChIKey is SKSXIJPDLTUJGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O3/c1-12-3-5-15(6-4-12)20-19-17(11-18(22(28)29)24-21(19)26-25-20)14-7-9-16(10-8-14)23-13(2)27/h3-11H,1-2H3,(H,23,27)(H,28,29)(H,24,25,26).
What are the key properties of 4-(4-acetamidophenyl)-3-(4-methylphenyl)-2H-pyrazolo[3,4-b]pyridine-6-carboxylic acid?
4-(4-acetamidophenyl)-3-(4-methylphenyl)-2H-pyrazolo[3,4-b]pyridine-6-carboxylic acid has a molecular weight of 386.41 g/mol, XLogP of 4.26, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-acetamidophenyl)-3-(4-methylphenyl)-2H-pyrazolo[3,4-b]pyridine-6-carboxylic acid is sourced from PubChem (CID 155554940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).