1,3-dimethyl-4-thiophen-2-ylsulfanylpyrazolo[3,4-b]pyridine-5-carboxylic acid

C13H11N3O2S2 — CID 115937705

IUPAC1,3-dimethyl-4-thiophen-2-ylsulfanylpyrazolo[3,4-b]pyridine-5-carboxylic acid
SMILESCc1nn(C)c2ncc(C(=O)O)c(Sc3cccs3)c12
InChIInChI=1S/C13H11N3O2S2/c1-7-10-11(20-9-4-3-5-19-9)8(13(17)18)6-14-12(10)16(2)15-7/h3-6H,1-2H3,(H,17,18)
InChIKeyGOFHNSAWDDRGHS-UHFFFAOYSA-N
MW305.38 g/mol
LogP3.19
Rot. Bonds3

About 1,3-dimethyl-4-thiophen-2-ylsulfanylpyrazolo[3,4-b]pyridine-5-carboxylic acid

1,3-dimethyl-4-thiophen-2-ylsulfanylpyrazolo[3,4-b]pyridine-5-carboxylic acid (PubChem CID 115937705) has the molecular formula C13H11N3O2S2 and a molecular weight of 305.38 g/mol. Its IUPAC name is 1,3-dimethyl-4-thiophen-2-ylsulfanylpyrazolo[3,4-b]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name1,3-dimethyl-4-thiophen-2-ylsulfanylpyrazolo[3,4-b]pyridine-5-carboxylic acid
PubChem CID115937705
Molecular FormulaC13H11N3O2S2
Molecular Weight305.38 g/mol
Exact Mass305.03
IUPAC Name1,3-dimethyl-4-thiophen-2-ylsulfanylpyrazolo[3,4-b]pyridine-5-carboxylic acid
SMILESCc1nn(C)c2ncc(C(=O)O)c(Sc3cccs3)c12
InChIInChI=1S/C13H11N3O2S2/c1-7-10-11(20-9-4-3-5-19-9)8(13(17)18)6-14-12(10)16(2)15-7/h3-6H,1-2H3,(H,17,18)
InChIKeyGOFHNSAWDDRGHS-UHFFFAOYSA-N
XLogP3.19
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1,3-dimethyl-4-thiophen-2-ylsulfanylpyrazolo[3,4-b]pyridine-5-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

Related Compounds

1,3-dimethyl-4-pyridin-4-ylsulfanylpyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 115937733
1,3-dimethyl-4-(1,3,4-thiadiazol-2-ylsulfanyl)pyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 115937699
1,3-dimethyl-4-(1,3-oxazol-2-ylsulfanyl)pyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 106921087
4-(3-methoxy-3-oxopropyl)sulfanyl-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 115937711
1,3-dimethylpyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 83907341
N-[2-(4-chloro-1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)-2-oxoethyl]thiophene-2-carboxamide
CID 58248810
1,3-dimethyl-4-(2-methylbutan-2-yloxy)pyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 115937444
4-(2,2-dimethylpropylamino)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 115937569
1,3-dimethyl-4-prop-2-ynoxypyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 112580943
4-[cyclopropylmethyl(ethyl)amino]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 115937637
4-(5-hydroxypentylamino)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 107317940
1,3-dimethyl-4-[(1-methyl-1,2,4-triazol-3-yl)oxy]pyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 106596785

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-4-thiophen-2-ylsulfanylpyrazolo[3,4-b]pyridine-5-carboxylic acid?
The IUPAC name of 1,3-dimethyl-4-thiophen-2-ylsulfanylpyrazolo[3,4-b]pyridine-5-carboxylic acid (CID 115937705) is 1,3-dimethyl-4-thiophen-2-ylsulfanylpyrazolo[3,4-b]pyridine-5-carboxylic acid.
What is the SMILES notation for 1,3-dimethyl-4-thiophen-2-ylsulfanylpyrazolo[3,4-b]pyridine-5-carboxylic acid?
The canonical SMILES for 1,3-dimethyl-4-thiophen-2-ylsulfanylpyrazolo[3,4-b]pyridine-5-carboxylic acid is Cc1nn(C)c2ncc(C(=O)O)c(Sc3cccs3)c12.
What is the InChIKey of 1,3-dimethyl-4-thiophen-2-ylsulfanylpyrazolo[3,4-b]pyridine-5-carboxylic acid?
The InChIKey is GOFHNSAWDDRGHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O2S2/c1-7-10-11(20-9-4-3-5-19-9)8(13(17)18)6-14-12(10)16(2)15-7/h3-6H,1-2H3,(H,17,18).
What are the key properties of 1,3-dimethyl-4-thiophen-2-ylsulfanylpyrazolo[3,4-b]pyridine-5-carboxylic acid?
1,3-dimethyl-4-thiophen-2-ylsulfanylpyrazolo[3,4-b]pyridine-5-carboxylic acid has a molecular weight of 305.38 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-4-thiophen-2-ylsulfanylpyrazolo[3,4-b]pyridine-5-carboxylic acid is sourced from PubChem (CID 115937705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).