1-methyl-3-oxopyrazolo[3,4-b]pyridine-2-carboxylic acid

C8H7N3O3 — CID 141185183

IUPAC1-methyl-3-oxopyrazolo[3,4-b]pyridine-2-carboxylic acid
SMILESCn1c2ncccc2c(=O)n1C(=O)O
InChIInChI=1S/C8H7N3O3/c1-10-6-5(3-2-4-9-6)7(12)11(10)8(13)14/h2-4H,1H3,(H,13,14)
InChIKeyBXHMADNDZVFEMN-UHFFFAOYSA-N
MW193.16 g/mol
LogP0.26
Rot. Bonds

About 1-methyl-3-oxopyrazolo[3,4-b]pyridine-2-carboxylic acid

1-methyl-3-oxopyrazolo[3,4-b]pyridine-2-carboxylic acid (PubChem CID 141185183) has the molecular formula C8H7N3O3 and a molecular weight of 193.16 g/mol. Its IUPAC name is 1-methyl-3-oxopyrazolo[3,4-b]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name1-methyl-3-oxopyrazolo[3,4-b]pyridine-2-carboxylic acid
PubChem CID141185183
Molecular FormulaC8H7N3O3
Molecular Weight193.16 g/mol
Exact Mass193.05
IUPAC Name1-methyl-3-oxopyrazolo[3,4-b]pyridine-2-carboxylic acid
SMILESCn1c2ncccc2c(=O)n1C(=O)O
InChIInChI=1S/C8H7N3O3/c1-10-6-5(3-2-4-9-6)7(12)11(10)8(13)14/h2-4H,1H3,(H,13,14)
InChIKeyBXHMADNDZVFEMN-UHFFFAOYSA-N
XLogP0.26
TPSA77.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.16
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-oxopyrazolo[3,4-b]pyridine-2-carboxylic acid?
The IUPAC name of 1-methyl-3-oxopyrazolo[3,4-b]pyridine-2-carboxylic acid (CID 141185183) is 1-methyl-3-oxopyrazolo[3,4-b]pyridine-2-carboxylic acid.
What is the SMILES notation for 1-methyl-3-oxopyrazolo[3,4-b]pyridine-2-carboxylic acid?
The canonical SMILES for 1-methyl-3-oxopyrazolo[3,4-b]pyridine-2-carboxylic acid is Cn1c2ncccc2c(=O)n1C(=O)O.
What is the InChIKey of 1-methyl-3-oxopyrazolo[3,4-b]pyridine-2-carboxylic acid?
The InChIKey is BXHMADNDZVFEMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O3/c1-10-6-5(3-2-4-9-6)7(12)11(10)8(13)14/h2-4H,1H3,(H,13,14).
What are the key properties of 1-methyl-3-oxopyrazolo[3,4-b]pyridine-2-carboxylic acid?
1-methyl-3-oxopyrazolo[3,4-b]pyridine-2-carboxylic acid has a molecular weight of 193.16 g/mol, XLogP of 0.26, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-oxopyrazolo[3,4-b]pyridine-2-carboxylic acid is sourced from PubChem (CID 141185183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).