4-(4-methoxyphenoxy)-1-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid

C15H13N3O4 — CID 1482845

IUPAC4-(4-methoxyphenoxy)-1-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid
SMILESCOc1ccc(Oc2c(C(=O)O)cnc3c2cnn3C)cc1
InChIInChI=1S/C15H13N3O4/c1-18-14-11(8-17-18)13(12(7-16-14)15(19)20)22-10-5-3-9(21-2)4-6-10/h3-8H,1-2H3,(H,19,20)
InChIKeyRFEGFXKPUSHEIU-UHFFFAOYSA-N
MW299.29 g/mol
LogP2.47
Rot. Bonds4

About 4-(4-methoxyphenoxy)-1-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid

4-(4-methoxyphenoxy)-1-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid (PubChem CID 1482845) has the molecular formula C15H13N3O4 and a molecular weight of 299.29 g/mol. Its IUPAC name is 4-(4-methoxyphenoxy)-1-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name4-(4-methoxyphenoxy)-1-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid
PubChem CID1482845
Molecular FormulaC15H13N3O4
Molecular Weight299.29 g/mol
Exact Mass299.09
IUPAC Name4-(4-methoxyphenoxy)-1-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid
SMILESCOc1ccc(Oc2c(C(=O)O)cnc3c2cnn3C)cc1
InChIInChI=1S/C15H13N3O4/c1-18-14-11(8-17-18)13(12(7-16-14)15(19)20)22-10-5-3-9(21-2)4-6-10/h3-8H,1-2H3,(H,19,20)
InChIKeyRFEGFXKPUSHEIU-UHFFFAOYSA-N
XLogP2.47
TPSA86.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.29
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(4-methoxyphenoxy)-1-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenoxy)-1-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid?
The IUPAC name of 4-(4-methoxyphenoxy)-1-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid (CID 1482845) is 4-(4-methoxyphenoxy)-1-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid.
What is the SMILES notation for 4-(4-methoxyphenoxy)-1-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid?
The canonical SMILES for 4-(4-methoxyphenoxy)-1-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid is COc1ccc(Oc2c(C(=O)O)cnc3c2cnn3C)cc1.
What is the InChIKey of 4-(4-methoxyphenoxy)-1-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid?
The InChIKey is RFEGFXKPUSHEIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O4/c1-18-14-11(8-17-18)13(12(7-16-14)15(19)20)22-10-5-3-9(21-2)4-6-10/h3-8H,1-2H3,(H,19,20).
What are the key properties of 4-(4-methoxyphenoxy)-1-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid?
4-(4-methoxyphenoxy)-1-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid has a molecular weight of 299.29 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenoxy)-1-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid is sourced from PubChem (CID 1482845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).