1,3-dimethyl-6-oxo-3aH-pyrazolo[3,4-b]pyridine-4-carboxylic acid

C9H9N3O3 — CID 75121152

IUPAC1,3-dimethyl-6-oxo-3aH-pyrazolo[3,4-b]pyridine-4-carboxylic acid
SMILESCC1=NN(C)C2=NC(=O)C=C(C(=O)O)C12
InChIInChI=1S/C9H9N3O3/c1-4-7-5(9(14)15)3-6(13)10-8(7)12(2)11-4/h3,7H,1-2H3,(H,14,15)
InChIKeyAMWXROKGRHMBRG-UHFFFAOYSA-N
MW207.19 g/mol
LogP-0.13
Rot. Bonds1

About 1,3-dimethyl-6-oxo-3aH-pyrazolo[3,4-b]pyridine-4-carboxylic acid

1,3-dimethyl-6-oxo-3aH-pyrazolo[3,4-b]pyridine-4-carboxylic acid (PubChem CID 75121152) has the molecular formula C9H9N3O3 and a molecular weight of 207.19 g/mol. Its IUPAC name is 1,3-dimethyl-6-oxo-3aH-pyrazolo[3,4-b]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name1,3-dimethyl-6-oxo-3aH-pyrazolo[3,4-b]pyridine-4-carboxylic acid
PubChem CID75121152
Molecular FormulaC9H9N3O3
Molecular Weight207.19 g/mol
Exact Mass207.06
IUPAC Name1,3-dimethyl-6-oxo-3aH-pyrazolo[3,4-b]pyridine-4-carboxylic acid
SMILESCC1=NN(C)C2=NC(=O)C=C(C(=O)O)C12
InChIInChI=1S/C9H9N3O3/c1-4-7-5(9(14)15)3-6(13)10-8(7)12(2)11-4/h3,7H,1-2H3,(H,14,15)
InChIKeyAMWXROKGRHMBRG-UHFFFAOYSA-N
XLogP-0.13
TPSA82.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-6-oxo-3aH-pyrazolo[3,4-b]pyridine-4-carboxylic acid?
The IUPAC name of 1,3-dimethyl-6-oxo-3aH-pyrazolo[3,4-b]pyridine-4-carboxylic acid (CID 75121152) is 1,3-dimethyl-6-oxo-3aH-pyrazolo[3,4-b]pyridine-4-carboxylic acid.
What is the SMILES notation for 1,3-dimethyl-6-oxo-3aH-pyrazolo[3,4-b]pyridine-4-carboxylic acid?
The canonical SMILES for 1,3-dimethyl-6-oxo-3aH-pyrazolo[3,4-b]pyridine-4-carboxylic acid is CC1=NN(C)C2=NC(=O)C=C(C(=O)O)C12.
What is the InChIKey of 1,3-dimethyl-6-oxo-3aH-pyrazolo[3,4-b]pyridine-4-carboxylic acid?
The InChIKey is AMWXROKGRHMBRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O3/c1-4-7-5(9(14)15)3-6(13)10-8(7)12(2)11-4/h3,7H,1-2H3,(H,14,15).
What are the key properties of 1,3-dimethyl-6-oxo-3aH-pyrazolo[3,4-b]pyridine-4-carboxylic acid?
1,3-dimethyl-6-oxo-3aH-pyrazolo[3,4-b]pyridine-4-carboxylic acid has a molecular weight of 207.19 g/mol, XLogP of -0.13, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-6-oxo-3aH-pyrazolo[3,4-b]pyridine-4-carboxylic acid is sourced from PubChem (CID 75121152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).