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

C23H21N3O4 — CID 135656857

IUPAC6-(3-ethoxy-2-hydroxyphenyl)-3-(4-ethylphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
SMILESCCOc1cccc(-c2cc(C(=O)O)c3c(-c4ccc(CC)cc4)[nH]nc3n2)c1O
InChIInChI=1S/C23H21N3O4/c1-3-13-8-10-14(11-9-13)20-19-16(23(28)29)12-17(24-22(19)26-25-20)15-6-5-7-18(21(15)27)30-4-2/h5-12,27H,3-4H2,1-2H3,(H,28,29)(H,24,25,26)
InChIKeyURFWYUBRJLDDGN-UHFFFAOYSA-N
MW403.44 g/mol
LogP4.66
Rot. Bonds6

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

6-(3-ethoxy-2-hydroxyphenyl)-3-(4-ethylphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid (PubChem CID 135656857) has the molecular formula C23H21N3O4 and a molecular weight of 403.44 g/mol. Its IUPAC name is 6-(3-ethoxy-2-hydroxyphenyl)-3-(4-ethylphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name6-(3-ethoxy-2-hydroxyphenyl)-3-(4-ethylphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
PubChem CID135656857
Molecular FormulaC23H21N3O4
Molecular Weight403.44 g/mol
Exact Mass403.15
IUPAC Name6-(3-ethoxy-2-hydroxyphenyl)-3-(4-ethylphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
SMILESCCOc1cccc(-c2cc(C(=O)O)c3c(-c4ccc(CC)cc4)[nH]nc3n2)c1O
InChIInChI=1S/C23H21N3O4/c1-3-13-8-10-14(11-9-13)20-19-16(23(28)29)12-17(24-22(19)26-25-20)15-6-5-7-18(21(15)27)30-4-2/h5-12,27H,3-4H2,1-2H3,(H,28,29)(H,24,25,26)
InChIKeyURFWYUBRJLDDGN-UHFFFAOYSA-N
XLogP4.66
TPSA108.33 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 54.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-(2-ethoxyphenyl)-3-(4-fluorophenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 22548883
6-(2-hydroxy-3-methoxyphenyl)-3-(4-methylphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 135572703
3-(4-ethylphenyl)-6-(2,4,5-trimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 22548922
6-(3-bromophenyl)-3-(4-ethylphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 22548932
6-(4-ethylphenyl)-3-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 22548899
6-(2,3-dihydroxyphenyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 135572693
ethyl 6-(2,5-difluoro-4-hydroxyphenyl)-3-(4-ethylphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylate
CID 155684777
3-(4-ethylphenyl)-6-(2-methoxyphenyl)-N-[(4-methylphenyl)methyl]-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
CID 46364779
6-(2,5-dimethoxyphenyl)-3-(4-ethoxyphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 22426568
6-(3-chlorophenyl)-3-(4-ethoxyphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 22426563
3-(4-ethoxyphenyl)-6-(4-hydroxy-3-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 135572896
3-phenyl-6-(2,4,5-trimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 22548774

Frequently Asked Questions

What is the IUPAC name of 6-(3-ethoxy-2-hydroxyphenyl)-3-(4-ethylphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid?
The IUPAC name of 6-(3-ethoxy-2-hydroxyphenyl)-3-(4-ethylphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid (CID 135656857) is 6-(3-ethoxy-2-hydroxyphenyl)-3-(4-ethylphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid.
What is the SMILES notation for 6-(3-ethoxy-2-hydroxyphenyl)-3-(4-ethylphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid?
The canonical SMILES for 6-(3-ethoxy-2-hydroxyphenyl)-3-(4-ethylphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid is CCOc1cccc(-c2cc(C(=O)O)c3c(-c4ccc(CC)cc4)[nH]nc3n2)c1O.
What is the InChIKey of 6-(3-ethoxy-2-hydroxyphenyl)-3-(4-ethylphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid?
The InChIKey is URFWYUBRJLDDGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O4/c1-3-13-8-10-14(11-9-13)20-19-16(23(28)29)12-17(24-22(19)26-25-20)15-6-5-7-18(21(15)27)30-4-2/h5-12,27H,3-4H2,1-2H3,(H,28,29)(H,24,25,26).
What are the key properties of 6-(3-ethoxy-2-hydroxyphenyl)-3-(4-ethylphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid?
6-(3-ethoxy-2-hydroxyphenyl)-3-(4-ethylphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid has a molecular weight of 403.44 g/mol, XLogP of 4.66, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-ethoxy-2-hydroxyphenyl)-3-(4-ethylphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid is sourced from PubChem (CID 135656857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).