6-(2-hydroxy-3-methoxyphenyl)-3-(4-methylphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid

C21H17N3O4 — CID 135572703

IUPAC6-(2-hydroxy-3-methoxyphenyl)-3-(4-methylphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
SMILESCOc1cccc(-c2cc(C(=O)O)c3c(-c4ccc(C)cc4)[nH]nc3n2)c1O
InChIInChI=1S/C21H17N3O4/c1-11-6-8-12(9-7-11)18-17-14(21(26)27)10-15(22-20(17)24-23-18)13-4-3-5-16(28-2)19(13)25/h3-10,25H,1-2H3,(H,26,27)(H,22,23,24)
InChIKeyPRGPZILFFQJBMB-UHFFFAOYSA-N
MW375.38 g/mol
LogP4.01
Rot. Bonds4

About 6-(2-hydroxy-3-methoxyphenyl)-3-(4-methylphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid

6-(2-hydroxy-3-methoxyphenyl)-3-(4-methylphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid (PubChem CID 135572703) has the molecular formula C21H17N3O4 and a molecular weight of 375.38 g/mol. Its IUPAC name is 6-(2-hydroxy-3-methoxyphenyl)-3-(4-methylphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name6-(2-hydroxy-3-methoxyphenyl)-3-(4-methylphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
PubChem CID135572703
Molecular FormulaC21H17N3O4
Molecular Weight375.38 g/mol
Exact Mass375.12
IUPAC Name6-(2-hydroxy-3-methoxyphenyl)-3-(4-methylphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
SMILESCOc1cccc(-c2cc(C(=O)O)c3c(-c4ccc(C)cc4)[nH]nc3n2)c1O
InChIInChI=1S/C21H17N3O4/c1-11-6-8-12(9-7-11)18-17-14(21(26)27)10-15(22-20(17)24-23-18)13-4-3-5-16(28-2)19(13)25/h3-10,25H,1-2H3,(H,26,27)(H,22,23,24)
InChIKeyPRGPZILFFQJBMB-UHFFFAOYSA-N
XLogP4.01
TPSA108.33 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.38
LogP ≤ 54.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(2-hydroxy-3-methoxyphenyl)-3-(4-methylphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid?
The IUPAC name of 6-(2-hydroxy-3-methoxyphenyl)-3-(4-methylphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid (CID 135572703) is 6-(2-hydroxy-3-methoxyphenyl)-3-(4-methylphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid.
What is the SMILES notation for 6-(2-hydroxy-3-methoxyphenyl)-3-(4-methylphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid?
The canonical SMILES for 6-(2-hydroxy-3-methoxyphenyl)-3-(4-methylphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid is COc1cccc(-c2cc(C(=O)O)c3c(-c4ccc(C)cc4)[nH]nc3n2)c1O.
What is the InChIKey of 6-(2-hydroxy-3-methoxyphenyl)-3-(4-methylphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid?
The InChIKey is PRGPZILFFQJBMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O4/c1-11-6-8-12(9-7-11)18-17-14(21(26)27)10-15(22-20(17)24-23-18)13-4-3-5-16(28-2)19(13)25/h3-10,25H,1-2H3,(H,26,27)(H,22,23,24).
What are the key properties of 6-(2-hydroxy-3-methoxyphenyl)-3-(4-methylphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid?
6-(2-hydroxy-3-methoxyphenyl)-3-(4-methylphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid has a molecular weight of 375.38 g/mol, XLogP of 4.01, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-hydroxy-3-methoxyphenyl)-3-(4-methylphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid is sourced from PubChem (CID 135572703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).