1-ethyl-4-ethylsulfanylpyrazolo[3,4-b]pyridine-5-carboxylic acid

C11H13N3O2S — CID 163705631

IUPAC1-ethyl-4-ethylsulfanylpyrazolo[3,4-b]pyridine-5-carboxylic acid
SMILESCCSc1c(C(=O)O)cnc2c1cnn2CC
InChIInChI=1S/C11H13N3O2S/c1-3-14-10-7(6-13-14)9(17-4-2)8(5-12-10)11(15)16/h5-6H,3-4H2,1-2H3,(H,15,16)
InChIKeyKEUQDYHEYGWAAU-UHFFFAOYSA-N
MW251.31 g/mol
LogP2.26
Rot. Bonds4

About 1-ethyl-4-ethylsulfanylpyrazolo[3,4-b]pyridine-5-carboxylic acid

1-ethyl-4-ethylsulfanylpyrazolo[3,4-b]pyridine-5-carboxylic acid (PubChem CID 163705631) has the molecular formula C11H13N3O2S and a molecular weight of 251.31 g/mol. Its IUPAC name is 1-ethyl-4-ethylsulfanylpyrazolo[3,4-b]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name1-ethyl-4-ethylsulfanylpyrazolo[3,4-b]pyridine-5-carboxylic acid
PubChem CID163705631
Molecular FormulaC11H13N3O2S
Molecular Weight251.31 g/mol
Exact Mass251.07
IUPAC Name1-ethyl-4-ethylsulfanylpyrazolo[3,4-b]pyridine-5-carboxylic acid
SMILESCCSc1c(C(=O)O)cnc2c1cnn2CC
InChIInChI=1S/C11H13N3O2S/c1-3-14-10-7(6-13-14)9(17-4-2)8(5-12-10)11(15)16/h5-6H,3-4H2,1-2H3,(H,15,16)
InChIKeyKEUQDYHEYGWAAU-UHFFFAOYSA-N
XLogP2.26
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-ethylsulfanylpyrazolo[3,4-b]pyridine-5-carboxylic acid?
The IUPAC name of 1-ethyl-4-ethylsulfanylpyrazolo[3,4-b]pyridine-5-carboxylic acid (CID 163705631) is 1-ethyl-4-ethylsulfanylpyrazolo[3,4-b]pyridine-5-carboxylic acid.
What is the SMILES notation for 1-ethyl-4-ethylsulfanylpyrazolo[3,4-b]pyridine-5-carboxylic acid?
The canonical SMILES for 1-ethyl-4-ethylsulfanylpyrazolo[3,4-b]pyridine-5-carboxylic acid is CCSc1c(C(=O)O)cnc2c1cnn2CC.
What is the InChIKey of 1-ethyl-4-ethylsulfanylpyrazolo[3,4-b]pyridine-5-carboxylic acid?
The InChIKey is KEUQDYHEYGWAAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2S/c1-3-14-10-7(6-13-14)9(17-4-2)8(5-12-10)11(15)16/h5-6H,3-4H2,1-2H3,(H,15,16).
What are the key properties of 1-ethyl-4-ethylsulfanylpyrazolo[3,4-b]pyridine-5-carboxylic acid?
1-ethyl-4-ethylsulfanylpyrazolo[3,4-b]pyridine-5-carboxylic acid has a molecular weight of 251.31 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-ethylsulfanylpyrazolo[3,4-b]pyridine-5-carboxylic acid is sourced from PubChem (CID 163705631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).