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

C21H15ClN4O3 — CID 155558798

IUPAC4-(4-acetamidophenyl)-3-(4-chlorophenyl)-2H-pyrazolo[3,4-b]pyridine-6-carboxylic acid
SMILESCC(=O)Nc1ccc(-c2cc(C(=O)O)nc3n[nH]c(-c4ccc(Cl)cc4)c23)cc1
InChIInChI=1S/C21H15ClN4O3/c1-11(27)23-15-8-4-12(5-9-15)16-10-17(21(28)29)24-20-18(16)19(25-26-20)13-2-6-14(22)7-3-13/h2-10H,1H3,(H,23,27)(H,28,29)(H,24,25,26)
InChIKeyQCLRFJSAWRCJKU-UHFFFAOYSA-N
MW406.83 g/mol
LogP4.60
Rot. Bonds4

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

4-(4-acetamidophenyl)-3-(4-chlorophenyl)-2H-pyrazolo[3,4-b]pyridine-6-carboxylic acid (PubChem CID 155558798) has the molecular formula C21H15ClN4O3 and a molecular weight of 406.83 g/mol. Its IUPAC name is 4-(4-acetamidophenyl)-3-(4-chlorophenyl)-2H-pyrazolo[3,4-b]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name4-(4-acetamidophenyl)-3-(4-chlorophenyl)-2H-pyrazolo[3,4-b]pyridine-6-carboxylic acid
PubChem CID155558798
Molecular FormulaC21H15ClN4O3
Molecular Weight406.83 g/mol
Exact Mass406.08
IUPAC Name4-(4-acetamidophenyl)-3-(4-chlorophenyl)-2H-pyrazolo[3,4-b]pyridine-6-carboxylic acid
SMILESCC(=O)Nc1ccc(-c2cc(C(=O)O)nc3n[nH]c(-c4ccc(Cl)cc4)c23)cc1
InChIInChI=1S/C21H15ClN4O3/c1-11(27)23-15-8-4-12(5-9-15)16-10-17(21(28)29)24-20-18(16)19(25-26-20)13-2-6-14(22)7-3-13/h2-10H,1H3,(H,23,27)(H,28,29)(H,24,25,26)
InChIKeyQCLRFJSAWRCJKU-UHFFFAOYSA-N
XLogP4.60
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.83
LogP ≤ 54.60
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-chlorophenyl)-2H-pyrazolo[3,4-b]pyridine-6-carboxylic acid?
The IUPAC name of 4-(4-acetamidophenyl)-3-(4-chlorophenyl)-2H-pyrazolo[3,4-b]pyridine-6-carboxylic acid (CID 155558798) is 4-(4-acetamidophenyl)-3-(4-chlorophenyl)-2H-pyrazolo[3,4-b]pyridine-6-carboxylic acid.
What is the SMILES notation for 4-(4-acetamidophenyl)-3-(4-chlorophenyl)-2H-pyrazolo[3,4-b]pyridine-6-carboxylic acid?
The canonical SMILES for 4-(4-acetamidophenyl)-3-(4-chlorophenyl)-2H-pyrazolo[3,4-b]pyridine-6-carboxylic acid is CC(=O)Nc1ccc(-c2cc(C(=O)O)nc3n[nH]c(-c4ccc(Cl)cc4)c23)cc1.
What is the InChIKey of 4-(4-acetamidophenyl)-3-(4-chlorophenyl)-2H-pyrazolo[3,4-b]pyridine-6-carboxylic acid?
The InChIKey is QCLRFJSAWRCJKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClN4O3/c1-11(27)23-15-8-4-12(5-9-15)16-10-17(21(28)29)24-20-18(16)19(25-26-20)13-2-6-14(22)7-3-13/h2-10H,1H3,(H,23,27)(H,28,29)(H,24,25,26).
What are the key properties of 4-(4-acetamidophenyl)-3-(4-chlorophenyl)-2H-pyrazolo[3,4-b]pyridine-6-carboxylic acid?
4-(4-acetamidophenyl)-3-(4-chlorophenyl)-2H-pyrazolo[3,4-b]pyridine-6-carboxylic acid has a molecular weight of 406.83 g/mol, XLogP of 4.60, 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-chlorophenyl)-2H-pyrazolo[3,4-b]pyridine-6-carboxylic acid is sourced from PubChem (CID 155558798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).