4-anilino-1-phenylpyrazolo[3,4-b]pyridine-5-carboxylic acid

C19H14N4O2 — CID 44562252

IUPAC4-anilino-1-phenylpyrazolo[3,4-b]pyridine-5-carboxylic acid
SMILESO=C(O)c1cnc2c(cnn2-c2ccccc2)c1Nc1ccccc1
InChIInChI=1S/C19H14N4O2/c24-19(25)16-11-20-18-15(17(16)22-13-7-3-1-4-8-13)12-21-23(18)14-9-5-2-6-10-14/h1-12H,(H,20,22)(H,24,25)
InChIKeyQZAIIKBTEXEDCN-UHFFFAOYSA-N
MW330.35 g/mol
LogP3.86
Rot. Bonds4

About 4-anilino-1-phenylpyrazolo[3,4-b]pyridine-5-carboxylic acid

4-anilino-1-phenylpyrazolo[3,4-b]pyridine-5-carboxylic acid (PubChem CID 44562252) has the molecular formula C19H14N4O2 and a molecular weight of 330.35 g/mol. Its IUPAC name is 4-anilino-1-phenylpyrazolo[3,4-b]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name4-anilino-1-phenylpyrazolo[3,4-b]pyridine-5-carboxylic acid
PubChem CID44562252
Molecular FormulaC19H14N4O2
Molecular Weight330.35 g/mol
Exact Mass330.11
IUPAC Name4-anilino-1-phenylpyrazolo[3,4-b]pyridine-5-carboxylic acid
SMILESO=C(O)c1cnc2c(cnn2-c2ccccc2)c1Nc1ccccc1
InChIInChI=1S/C19H14N4O2/c24-19(25)16-11-20-18-15(17(16)22-13-7-3-1-4-8-13)12-21-23(18)14-9-5-2-6-10-14/h1-12H,(H,20,22)(H,24,25)
InChIKeyQZAIIKBTEXEDCN-UHFFFAOYSA-N
XLogP3.86
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-anilino-1-phenylpyrazolo[3,4-b]pyridine-5-carboxylic acid?
The IUPAC name of 4-anilino-1-phenylpyrazolo[3,4-b]pyridine-5-carboxylic acid (CID 44562252) is 4-anilino-1-phenylpyrazolo[3,4-b]pyridine-5-carboxylic acid.
What is the SMILES notation for 4-anilino-1-phenylpyrazolo[3,4-b]pyridine-5-carboxylic acid?
The canonical SMILES for 4-anilino-1-phenylpyrazolo[3,4-b]pyridine-5-carboxylic acid is O=C(O)c1cnc2c(cnn2-c2ccccc2)c1Nc1ccccc1.
What is the InChIKey of 4-anilino-1-phenylpyrazolo[3,4-b]pyridine-5-carboxylic acid?
The InChIKey is QZAIIKBTEXEDCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O2/c24-19(25)16-11-20-18-15(17(16)22-13-7-3-1-4-8-13)12-21-23(18)14-9-5-2-6-10-14/h1-12H,(H,20,22)(H,24,25).
What are the key properties of 4-anilino-1-phenylpyrazolo[3,4-b]pyridine-5-carboxylic acid?
4-anilino-1-phenylpyrazolo[3,4-b]pyridine-5-carboxylic acid has a molecular weight of 330.35 g/mol, XLogP of 3.86, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-anilino-1-phenylpyrazolo[3,4-b]pyridine-5-carboxylic acid is sourced from PubChem (CID 44562252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).