1,3-dimethylpyrazolo[3,4-b]pyridine-4-carboxylic acid

C9H9N3O2 — CID 83907341

IUPAC1,3-dimethylpyrazolo[3,4-b]pyridine-4-carboxylic acid
SMILESCc1nn(C)c2nccc(C(=O)O)c12
InChIInChI=1S/C9H9N3O2/c1-5-7-6(9(13)14)3-4-10-8(7)12(2)11-5/h3-4H,1-2H3,(H,13,14)
InChIKeyOYZIVAUYLMYHCK-UHFFFAOYSA-N
MW191.19 g/mol
LogP0.97
Rot. Bonds1

About 1,3-dimethylpyrazolo[3,4-b]pyridine-4-carboxylic acid

1,3-dimethylpyrazolo[3,4-b]pyridine-4-carboxylic acid (PubChem CID 83907341) has the molecular formula C9H9N3O2 and a molecular weight of 191.19 g/mol. Its IUPAC name is 1,3-dimethylpyrazolo[3,4-b]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name1,3-dimethylpyrazolo[3,4-b]pyridine-4-carboxylic acid
PubChem CID83907341
Molecular FormulaC9H9N3O2
Molecular Weight191.19 g/mol
Exact Mass191.07
IUPAC Name1,3-dimethylpyrazolo[3,4-b]pyridine-4-carboxylic acid
SMILESCc1nn(C)c2nccc(C(=O)O)c12
InChIInChI=1S/C9H9N3O2/c1-5-7-6(9(13)14)3-4-10-8(7)12(2)11-5/h3-4H,1-2H3,(H,13,14)
InChIKeyOYZIVAUYLMYHCK-UHFFFAOYSA-N
XLogP0.97
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethylpyrazolo[3,4-b]pyridine-4-carboxylic acid?
The IUPAC name of 1,3-dimethylpyrazolo[3,4-b]pyridine-4-carboxylic acid (CID 83907341) is 1,3-dimethylpyrazolo[3,4-b]pyridine-4-carboxylic acid.
What is the SMILES notation for 1,3-dimethylpyrazolo[3,4-b]pyridine-4-carboxylic acid?
The canonical SMILES for 1,3-dimethylpyrazolo[3,4-b]pyridine-4-carboxylic acid is Cc1nn(C)c2nccc(C(=O)O)c12.
What is the InChIKey of 1,3-dimethylpyrazolo[3,4-b]pyridine-4-carboxylic acid?
The InChIKey is OYZIVAUYLMYHCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O2/c1-5-7-6(9(13)14)3-4-10-8(7)12(2)11-5/h3-4H,1-2H3,(H,13,14).
What are the key properties of 1,3-dimethylpyrazolo[3,4-b]pyridine-4-carboxylic acid?
1,3-dimethylpyrazolo[3,4-b]pyridine-4-carboxylic acid has a molecular weight of 191.19 g/mol, XLogP of 0.97, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethylpyrazolo[3,4-b]pyridine-4-carboxylic acid is sourced from PubChem (CID 83907341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).