6-(furan-2-yl)-3-methyl-1-(4-phenoxyphenyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid

C24H17N3O4 — CID 129012569

IUPAC6-(furan-2-yl)-3-methyl-1-(4-phenoxyphenyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
SMILESCc1nn(-c2ccc(Oc3ccccc3)cc2)c2nc(-c3ccco3)cc(C(=O)O)c12
InChIInChI=1S/C24H17N3O4/c1-15-22-19(24(28)29)14-20(21-8-5-13-30-21)25-23(22)27(26-15)16-9-11-18(12-10-16)31-17-6-3-2-4-7-17/h2-14H,1H3,(H,28,29)
InChIKeyQDUROJOWBQMMQA-UHFFFAOYSA-N
MW411.42 g/mol
LogP5.48
Rot. Bonds5

About 6-(furan-2-yl)-3-methyl-1-(4-phenoxyphenyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid

6-(furan-2-yl)-3-methyl-1-(4-phenoxyphenyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid (PubChem CID 129012569) has the molecular formula C24H17N3O4 and a molecular weight of 411.42 g/mol. Its IUPAC name is 6-(furan-2-yl)-3-methyl-1-(4-phenoxyphenyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name6-(furan-2-yl)-3-methyl-1-(4-phenoxyphenyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
PubChem CID129012569
Molecular FormulaC24H17N3O4
Molecular Weight411.42 g/mol
Exact Mass411.12
IUPAC Name6-(furan-2-yl)-3-methyl-1-(4-phenoxyphenyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
SMILESCc1nn(-c2ccc(Oc3ccccc3)cc2)c2nc(-c3ccco3)cc(C(=O)O)c12
InChIInChI=1S/C24H17N3O4/c1-15-22-19(24(28)29)14-20(21-8-5-13-30-21)25-23(22)27(26-15)16-9-11-18(12-10-16)31-17-6-3-2-4-7-17/h2-14H,1H3,(H,28,29)
InChIKeyQDUROJOWBQMMQA-UHFFFAOYSA-N
XLogP5.48
TPSA90.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.42
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(furan-2-yl)-3-methyl-1-(4-phenoxyphenyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid?
The IUPAC name of 6-(furan-2-yl)-3-methyl-1-(4-phenoxyphenyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid (CID 129012569) is 6-(furan-2-yl)-3-methyl-1-(4-phenoxyphenyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid.
What is the SMILES notation for 6-(furan-2-yl)-3-methyl-1-(4-phenoxyphenyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid?
The canonical SMILES for 6-(furan-2-yl)-3-methyl-1-(4-phenoxyphenyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid is Cc1nn(-c2ccc(Oc3ccccc3)cc2)c2nc(-c3ccco3)cc(C(=O)O)c12.
What is the InChIKey of 6-(furan-2-yl)-3-methyl-1-(4-phenoxyphenyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid?
The InChIKey is QDUROJOWBQMMQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N3O4/c1-15-22-19(24(28)29)14-20(21-8-5-13-30-21)25-23(22)27(26-15)16-9-11-18(12-10-16)31-17-6-3-2-4-7-17/h2-14H,1H3,(H,28,29).
What are the key properties of 6-(furan-2-yl)-3-methyl-1-(4-phenoxyphenyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid?
6-(furan-2-yl)-3-methyl-1-(4-phenoxyphenyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid has a molecular weight of 411.42 g/mol, XLogP of 5.48, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(furan-2-yl)-3-methyl-1-(4-phenoxyphenyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid is sourced from PubChem (CID 129012569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).