3-(4-ethylphenyl)-6-(2,4,5-trimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid

C24H23N3O5 — CID 22548922

IUPAC3-(4-ethylphenyl)-6-(2,4,5-trimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
SMILESCCc1ccc(-c2[nH]nc3nc(-c4cc(OC)c(OC)cc4OC)cc(C(=O)O)c23)cc1
InChIInChI=1S/C24H23N3O5/c1-5-13-6-8-14(9-7-13)22-21-16(24(28)29)10-17(25-23(21)27-26-22)15-11-19(31-3)20(32-4)12-18(15)30-2/h6-12H,5H2,1-4H3,(H,28,29)(H,25,26,27)
InChIKeyILAUBWVAQCCYFJ-UHFFFAOYSA-N
MW433.46 g/mol
LogP4.58
Rot. Bonds7

About 3-(4-ethylphenyl)-6-(2,4,5-trimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid

3-(4-ethylphenyl)-6-(2,4,5-trimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid (PubChem CID 22548922) has the molecular formula C24H23N3O5 and a molecular weight of 433.46 g/mol. Its IUPAC name is 3-(4-ethylphenyl)-6-(2,4,5-trimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-(4-ethylphenyl)-6-(2,4,5-trimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
PubChem CID22548922
Molecular FormulaC24H23N3O5
Molecular Weight433.46 g/mol
Exact Mass433.16
IUPAC Name3-(4-ethylphenyl)-6-(2,4,5-trimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
SMILESCCc1ccc(-c2[nH]nc3nc(-c4cc(OC)c(OC)cc4OC)cc(C(=O)O)c23)cc1
InChIInChI=1S/C24H23N3O5/c1-5-13-6-8-14(9-7-13)22-21-16(24(28)29)10-17(25-23(21)27-26-22)15-11-19(31-3)20(32-4)12-18(15)30-2/h6-12H,5H2,1-4H3,(H,28,29)(H,25,26,27)
InChIKeyILAUBWVAQCCYFJ-UHFFFAOYSA-N
XLogP4.58
TPSA106.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.46
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-phenyl-6-(2,4,5-trimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 22548774
6-(4-ethylphenyl)-3-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 22548899
6-(3-ethoxy-2-hydroxyphenyl)-3-(4-ethylphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 135656857
6-(2,5-dimethoxyphenyl)-3-(4-ethoxyphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 22426568
6-(3-bromophenyl)-3-(4-ethylphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 22548932
3-(4-bromophenyl)-N-butyl-6-(2,4,5-trimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
CID 46364889
3-(4-ethylphenyl)-6-(2-methoxyphenyl)-N-[(4-methylphenyl)methyl]-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
CID 46364779
6-(2-hydroxy-3-methoxyphenyl)-3-(4-methylphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 135572703
6-(2-ethoxyphenyl)-3-(4-fluorophenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 22548883
3-(4-ethoxyphenyl)-6-(4-hydroxy-3-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 135572896
3-(4-fluorophenyl)-6-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 22548747
3-(4-chlorophenyl)-6-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 71821260

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylphenyl)-6-(2,4,5-trimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid?
The IUPAC name of 3-(4-ethylphenyl)-6-(2,4,5-trimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid (CID 22548922) is 3-(4-ethylphenyl)-6-(2,4,5-trimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid.
What is the SMILES notation for 3-(4-ethylphenyl)-6-(2,4,5-trimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid?
The canonical SMILES for 3-(4-ethylphenyl)-6-(2,4,5-trimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid is CCc1ccc(-c2[nH]nc3nc(-c4cc(OC)c(OC)cc4OC)cc(C(=O)O)c23)cc1.
What is the InChIKey of 3-(4-ethylphenyl)-6-(2,4,5-trimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid?
The InChIKey is ILAUBWVAQCCYFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O5/c1-5-13-6-8-14(9-7-13)22-21-16(24(28)29)10-17(25-23(21)27-26-22)15-11-19(31-3)20(32-4)12-18(15)30-2/h6-12H,5H2,1-4H3,(H,28,29)(H,25,26,27).
What are the key properties of 3-(4-ethylphenyl)-6-(2,4,5-trimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid?
3-(4-ethylphenyl)-6-(2,4,5-trimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid has a molecular weight of 433.46 g/mol, XLogP of 4.58, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylphenyl)-6-(2,4,5-trimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid is sourced from PubChem (CID 22548922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).