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

C21H16N4O3 — CID 15988335

IUPAC6-(4-acetamidophenyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
SMILESCC(=O)Nc1ccc(-c2cc(C(=O)O)c3c(-c4ccccc4)[nH]nc3n2)cc1
InChIInChI=1S/C21H16N4O3/c1-12(26)22-15-9-7-13(8-10-15)17-11-16(21(27)28)18-19(24-25-20(18)23-17)14-5-3-2-4-6-14/h2-11H,1H3,(H,22,26)(H,27,28)(H,23,24,25)
InChIKeyKYCGNJYJTNXBIB-UHFFFAOYSA-N
MW372.38 g/mol
LogP3.95
Rot. Bonds4

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

6-(4-acetamidophenyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid (PubChem CID 15988335) has the molecular formula C21H16N4O3 and a molecular weight of 372.38 g/mol. Its IUPAC name is 6-(4-acetamidophenyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name6-(4-acetamidophenyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
PubChem CID15988335
Molecular FormulaC21H16N4O3
Molecular Weight372.38 g/mol
Exact Mass372.12
IUPAC Name6-(4-acetamidophenyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
SMILESCC(=O)Nc1ccc(-c2cc(C(=O)O)c3c(-c4ccccc4)[nH]nc3n2)cc1
InChIInChI=1S/C21H16N4O3/c1-12(26)22-15-9-7-13(8-10-15)17-11-16(21(27)28)18-19(24-25-20(18)23-17)14-5-3-2-4-6-14/h2-11H,1H3,(H,22,26)(H,27,28)(H,23,24,25)
InChIKeyKYCGNJYJTNXBIB-UHFFFAOYSA-N
XLogP3.95
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 53.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-acetamidophenyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid?
The IUPAC name of 6-(4-acetamidophenyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid (CID 15988335) is 6-(4-acetamidophenyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid.
What is the SMILES notation for 6-(4-acetamidophenyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid?
The canonical SMILES for 6-(4-acetamidophenyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid is CC(=O)Nc1ccc(-c2cc(C(=O)O)c3c(-c4ccccc4)[nH]nc3n2)cc1.
What is the InChIKey of 6-(4-acetamidophenyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid?
The InChIKey is KYCGNJYJTNXBIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O3/c1-12(26)22-15-9-7-13(8-10-15)17-11-16(21(27)28)18-19(24-25-20(18)23-17)14-5-3-2-4-6-14/h2-11H,1H3,(H,22,26)(H,27,28)(H,23,24,25).
What are the key properties of 6-(4-acetamidophenyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid?
6-(4-acetamidophenyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid has a molecular weight of 372.38 g/mol, XLogP of 3.95, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-acetamidophenyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid is sourced from PubChem (CID 15988335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).