1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxylic acid

C10H11N3O2 — CID 7174598

IUPAC1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxylic acid
SMILESCc1cc(C(=O)O)c2c(C)nn(C)c2n1
InChIInChI=1S/C10H11N3O2/c1-5-4-7(10(14)15)8-6(2)12-13(3)9(8)11-5/h4H,1-3H3,(H,14,15)
InChIKeyRDFKCZQFWJDUEX-UHFFFAOYSA-N
MW205.22 g/mol
LogP1.28
Rot. Bonds1

About 1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxylic acid

1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxylic acid (PubChem CID 7174598) has the molecular formula C10H11N3O2 and a molecular weight of 205.22 g/mol. Its IUPAC name is 1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxylic acid
PubChem CID7174598
Molecular FormulaC10H11N3O2
Molecular Weight205.22 g/mol
Exact Mass205.09
IUPAC Name1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxylic acid
SMILESCc1cc(C(=O)O)c2c(C)nn(C)c2n1
InChIInChI=1S/C10H11N3O2/c1-5-4-7(10(14)15)8-6(2)12-13(3)9(8)11-5/h4H,1-3H3,(H,14,15)
InChIKeyRDFKCZQFWJDUEX-UHFFFAOYSA-N
XLogP1.28
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxylic acid?
The IUPAC name of 1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxylic acid (CID 7174598) is 1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxylic acid.
What is the SMILES notation for 1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxylic acid?
The canonical SMILES for 1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxylic acid is Cc1cc(C(=O)O)c2c(C)nn(C)c2n1.
What is the InChIKey of 1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxylic acid?
The InChIKey is RDFKCZQFWJDUEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2/c1-5-4-7(10(14)15)8-6(2)12-13(3)9(8)11-5/h4H,1-3H3,(H,14,15).
What are the key properties of 1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxylic acid?
1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxylic acid has a molecular weight of 205.22 g/mol, XLogP of 1.28, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxylic acid is sourced from PubChem (CID 7174598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).