4-(3-methoxyanilino)-1-phenylpyrazolo[3,4-b]pyridine-5-carboxylic acid

C20H16N4O3 — CID 44561623

IUPAC4-(3-methoxyanilino)-1-phenylpyrazolo[3,4-b]pyridine-5-carboxylic acid
SMILESCOc1cccc(Nc2c(C(=O)O)cnc3c2cnn3-c2ccccc2)c1
InChIInChI=1S/C20H16N4O3/c1-27-15-9-5-6-13(10-15)23-18-16-12-22-24(14-7-3-2-4-8-14)19(16)21-11-17(18)20(25)26/h2-12H,1H3,(H,21,23)(H,25,26)
InChIKeyRREMYBUOZONATG-UHFFFAOYSA-N
MW360.37 g/mol
LogP3.87
Rot. Bonds5

About 4-(3-methoxyanilino)-1-phenylpyrazolo[3,4-b]pyridine-5-carboxylic acid

4-(3-methoxyanilino)-1-phenylpyrazolo[3,4-b]pyridine-5-carboxylic acid (PubChem CID 44561623) has the molecular formula C20H16N4O3 and a molecular weight of 360.37 g/mol. Its IUPAC name is 4-(3-methoxyanilino)-1-phenylpyrazolo[3,4-b]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name4-(3-methoxyanilino)-1-phenylpyrazolo[3,4-b]pyridine-5-carboxylic acid
PubChem CID44561623
Molecular FormulaC20H16N4O3
Molecular Weight360.37 g/mol
Exact Mass360.12
IUPAC Name4-(3-methoxyanilino)-1-phenylpyrazolo[3,4-b]pyridine-5-carboxylic acid
SMILESCOc1cccc(Nc2c(C(=O)O)cnc3c2cnn3-c2ccccc2)c1
InChIInChI=1S/C20H16N4O3/c1-27-15-9-5-6-13(10-15)23-18-16-12-22-24(14-7-3-2-4-8-14)19(16)21-11-17(18)20(25)26/h2-12H,1H3,(H,21,23)(H,25,26)
InChIKeyRREMYBUOZONATG-UHFFFAOYSA-N
XLogP3.87
TPSA89.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxyanilino)-1-phenylpyrazolo[3,4-b]pyridine-5-carboxylic acid?
The IUPAC name of 4-(3-methoxyanilino)-1-phenylpyrazolo[3,4-b]pyridine-5-carboxylic acid (CID 44561623) is 4-(3-methoxyanilino)-1-phenylpyrazolo[3,4-b]pyridine-5-carboxylic acid.
What is the SMILES notation for 4-(3-methoxyanilino)-1-phenylpyrazolo[3,4-b]pyridine-5-carboxylic acid?
The canonical SMILES for 4-(3-methoxyanilino)-1-phenylpyrazolo[3,4-b]pyridine-5-carboxylic acid is COc1cccc(Nc2c(C(=O)O)cnc3c2cnn3-c2ccccc2)c1.
What is the InChIKey of 4-(3-methoxyanilino)-1-phenylpyrazolo[3,4-b]pyridine-5-carboxylic acid?
The InChIKey is RREMYBUOZONATG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O3/c1-27-15-9-5-6-13(10-15)23-18-16-12-22-24(14-7-3-2-4-8-14)19(16)21-11-17(18)20(25)26/h2-12H,1H3,(H,21,23)(H,25,26).
What are the key properties of 4-(3-methoxyanilino)-1-phenylpyrazolo[3,4-b]pyridine-5-carboxylic acid?
4-(3-methoxyanilino)-1-phenylpyrazolo[3,4-b]pyridine-5-carboxylic acid has a molecular weight of 360.37 g/mol, XLogP of 3.87, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxyanilino)-1-phenylpyrazolo[3,4-b]pyridine-5-carboxylic acid is sourced from PubChem (CID 44561623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).