6-(5-acetylthiophen-2-yl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid

C19H14N4O3S — CID 71600938

IUPAC6-(5-acetylthiophen-2-yl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
SMILESCC(=O)c1ccc(-c2cc(C(=O)O)c3cnn(Cc4ccncc4)c3n2)s1
InChIInChI=1S/C19H14N4O3S/c1-11(24)16-2-3-17(27-16)15-8-13(19(25)26)14-9-21-23(18(14)22-15)10-12-4-6-20-7-5-12/h2-9H,10H2,1H3,(H,25,26)
InChIKeyPKGJEFXDEGSIJI-UHFFFAOYSA-N
MW378.41 g/mol
LogP3.50
Rot. Bonds5

About 6-(5-acetylthiophen-2-yl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid

6-(5-acetylthiophen-2-yl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid (PubChem CID 71600938) has the molecular formula C19H14N4O3S and a molecular weight of 378.41 g/mol. Its IUPAC name is 6-(5-acetylthiophen-2-yl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name6-(5-acetylthiophen-2-yl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
PubChem CID71600938
Molecular FormulaC19H14N4O3S
Molecular Weight378.41 g/mol
Exact Mass378.08
IUPAC Name6-(5-acetylthiophen-2-yl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
SMILESCC(=O)c1ccc(-c2cc(C(=O)O)c3cnn(Cc4ccncc4)c3n2)s1
InChIInChI=1S/C19H14N4O3S/c1-11(24)16-2-3-17(27-16)15-8-13(19(25)26)14-9-21-23(18(14)22-15)10-12-4-6-20-7-5-12/h2-9H,10H2,1H3,(H,25,26)
InChIKeyPKGJEFXDEGSIJI-UHFFFAOYSA-N
XLogP3.50
TPSA97.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-(5-acetylthiophen-2-yl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-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 6-(5-acetylthiophen-2-yl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid?
The IUPAC name of 6-(5-acetylthiophen-2-yl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid (CID 71600938) is 6-(5-acetylthiophen-2-yl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid.
What is the SMILES notation for 6-(5-acetylthiophen-2-yl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid?
The canonical SMILES for 6-(5-acetylthiophen-2-yl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid is CC(=O)c1ccc(-c2cc(C(=O)O)c3cnn(Cc4ccncc4)c3n2)s1.
What is the InChIKey of 6-(5-acetylthiophen-2-yl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid?
The InChIKey is PKGJEFXDEGSIJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O3S/c1-11(24)16-2-3-17(27-16)15-8-13(19(25)26)14-9-21-23(18(14)22-15)10-12-4-6-20-7-5-12/h2-9H,10H2,1H3,(H,25,26).
What are the key properties of 6-(5-acetylthiophen-2-yl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid?
6-(5-acetylthiophen-2-yl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid has a molecular weight of 378.41 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-acetylthiophen-2-yl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid is sourced from PubChem (CID 71600938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).