6-(4-hydroxy-3,5-dimethoxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid

C16H15N3O5 — CID 135638532

IUPAC6-(4-hydroxy-3,5-dimethoxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
SMILESCOc1cc(-c2cc(C(=O)O)c3c(C)[nH]nc3n2)cc(OC)c1O
InChIInChI=1S/C16H15N3O5/c1-7-13-9(16(21)22)6-10(17-15(13)19-18-7)8-4-11(23-2)14(20)12(5-8)24-3/h4-6,20H,1-3H3,(H,21,22)(H,17,18,19)
InChIKeyXCDGUDNQKNQJKE-UHFFFAOYSA-N
MW329.31 g/mol
LogP2.35
Rot. Bonds4

About 6-(4-hydroxy-3,5-dimethoxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid

6-(4-hydroxy-3,5-dimethoxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid (PubChem CID 135638532) has the molecular formula C16H15N3O5 and a molecular weight of 329.31 g/mol. Its IUPAC name is 6-(4-hydroxy-3,5-dimethoxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name6-(4-hydroxy-3,5-dimethoxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
PubChem CID135638532
Molecular FormulaC16H15N3O5
Molecular Weight329.31 g/mol
Exact Mass329.10
IUPAC Name6-(4-hydroxy-3,5-dimethoxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
SMILESCOc1cc(-c2cc(C(=O)O)c3c(C)[nH]nc3n2)cc(OC)c1O
InChIInChI=1S/C16H15N3O5/c1-7-13-9(16(21)22)6-10(17-15(13)19-18-7)8-4-11(23-2)14(20)12(5-8)24-3/h4-6,20H,1-3H3,(H,21,22)(H,17,18,19)
InChIKeyXCDGUDNQKNQJKE-UHFFFAOYSA-N
XLogP2.35
TPSA117.56 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.31
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(4-hydroxy-3,5-dimethoxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid?
The IUPAC name of 6-(4-hydroxy-3,5-dimethoxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid (CID 135638532) is 6-(4-hydroxy-3,5-dimethoxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid.
What is the SMILES notation for 6-(4-hydroxy-3,5-dimethoxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid?
The canonical SMILES for 6-(4-hydroxy-3,5-dimethoxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid is COc1cc(-c2cc(C(=O)O)c3c(C)[nH]nc3n2)cc(OC)c1O.
What is the InChIKey of 6-(4-hydroxy-3,5-dimethoxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid?
The InChIKey is XCDGUDNQKNQJKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O5/c1-7-13-9(16(21)22)6-10(17-15(13)19-18-7)8-4-11(23-2)14(20)12(5-8)24-3/h4-6,20H,1-3H3,(H,21,22)(H,17,18,19).
What are the key properties of 6-(4-hydroxy-3,5-dimethoxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid?
6-(4-hydroxy-3,5-dimethoxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid has a molecular weight of 329.31 g/mol, XLogP of 2.35, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-hydroxy-3,5-dimethoxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid is sourced from PubChem (CID 135638532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).