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

C21H17N3O3 — CID 135845557

IUPAC3-(4-ethylphenyl)-6-(4-hydroxyphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
SMILESCCc1ccc(-c2[nH]nc3nc(-c4ccc(O)cc4)cc(C(=O)O)c23)cc1
InChIInChI=1S/C21H17N3O3/c1-2-12-3-5-14(6-4-12)19-18-16(21(26)27)11-17(22-20(18)24-23-19)13-7-9-15(25)10-8-13/h3-11,25H,2H2,1H3,(H,26,27)(H,22,23,24)
InChIKeyCCXQOBIEZGNHLS-UHFFFAOYSA-N
MW359.39 g/mol
LogP4.26
Rot. Bonds4

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

3-(4-ethylphenyl)-6-(4-hydroxyphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid (PubChem CID 135845557) has the molecular formula C21H17N3O3 and a molecular weight of 359.39 g/mol. Its IUPAC name is 3-(4-ethylphenyl)-6-(4-hydroxyphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-(4-ethylphenyl)-6-(4-hydroxyphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
PubChem CID135845557
Molecular FormulaC21H17N3O3
Molecular Weight359.39 g/mol
Exact Mass359.13
IUPAC Name3-(4-ethylphenyl)-6-(4-hydroxyphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
SMILESCCc1ccc(-c2[nH]nc3nc(-c4ccc(O)cc4)cc(C(=O)O)c23)cc1
InChIInChI=1S/C21H17N3O3/c1-2-12-3-5-14(6-4-12)19-18-16(21(26)27)11-17(22-20(18)24-23-19)13-7-9-15(25)10-8-13/h3-11,25H,2H2,1H3,(H,26,27)(H,22,23,24)
InChIKeyCCXQOBIEZGNHLS-UHFFFAOYSA-N
XLogP4.26
TPSA99.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 54.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylphenyl)-6-(4-hydroxyphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid?
The IUPAC name of 3-(4-ethylphenyl)-6-(4-hydroxyphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid (CID 135845557) is 3-(4-ethylphenyl)-6-(4-hydroxyphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid.
What is the SMILES notation for 3-(4-ethylphenyl)-6-(4-hydroxyphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid?
The canonical SMILES for 3-(4-ethylphenyl)-6-(4-hydroxyphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid is CCc1ccc(-c2[nH]nc3nc(-c4ccc(O)cc4)cc(C(=O)O)c23)cc1.
What is the InChIKey of 3-(4-ethylphenyl)-6-(4-hydroxyphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid?
The InChIKey is CCXQOBIEZGNHLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O3/c1-2-12-3-5-14(6-4-12)19-18-16(21(26)27)11-17(22-20(18)24-23-19)13-7-9-15(25)10-8-13/h3-11,25H,2H2,1H3,(H,26,27)(H,22,23,24).
What are the key properties of 3-(4-ethylphenyl)-6-(4-hydroxyphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid?
3-(4-ethylphenyl)-6-(4-hydroxyphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid has a molecular weight of 359.39 g/mol, XLogP of 4.26, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylphenyl)-6-(4-hydroxyphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid is sourced from PubChem (CID 135845557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).