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

C21H14N4O2S — CID 71600937

IUPAC6-(1-benzothiophen-2-yl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(-c2cc3ccccc3s2)nc2c1cnn2Cc1ccncc1
InChIInChI=1S/C21H14N4O2S/c26-21(27)15-10-17(19-9-14-3-1-2-4-18(14)28-19)24-20-16(15)11-23-25(20)12-13-5-7-22-8-6-13/h1-11H,12H2,(H,26,27)
InChIKeyQOFACKVAGOBCMY-UHFFFAOYSA-N
MW386.44 g/mol
LogP4.45
Rot. Bonds4

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

6-(1-benzothiophen-2-yl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid (PubChem CID 71600937) has the molecular formula C21H14N4O2S and a molecular weight of 386.44 g/mol. Its IUPAC name is 6-(1-benzothiophen-2-yl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name6-(1-benzothiophen-2-yl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
PubChem CID71600937
Molecular FormulaC21H14N4O2S
Molecular Weight386.44 g/mol
Exact Mass386.08
IUPAC Name6-(1-benzothiophen-2-yl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(-c2cc3ccccc3s2)nc2c1cnn2Cc1ccncc1
InChIInChI=1S/C21H14N4O2S/c26-21(27)15-10-17(19-9-14-3-1-2-4-18(14)28-19)24-20-16(15)11-23-25(20)12-13-5-7-22-8-6-13/h1-11H,12H2,(H,26,27)
InChIKeyQOFACKVAGOBCMY-UHFFFAOYSA-N
XLogP4.45
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.44
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(1-benzothiophen-2-yl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid?
The IUPAC name of 6-(1-benzothiophen-2-yl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid (CID 71600937) is 6-(1-benzothiophen-2-yl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid.
What is the SMILES notation for 6-(1-benzothiophen-2-yl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid?
The canonical SMILES for 6-(1-benzothiophen-2-yl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid is O=C(O)c1cc(-c2cc3ccccc3s2)nc2c1cnn2Cc1ccncc1.
What is the InChIKey of 6-(1-benzothiophen-2-yl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid?
The InChIKey is QOFACKVAGOBCMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N4O2S/c26-21(27)15-10-17(19-9-14-3-1-2-4-18(14)28-19)24-20-16(15)11-23-25(20)12-13-5-7-22-8-6-13/h1-11H,12H2,(H,26,27).
What are the key properties of 6-(1-benzothiophen-2-yl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid?
6-(1-benzothiophen-2-yl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid has a molecular weight of 386.44 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-benzothiophen-2-yl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid is sourced from PubChem (CID 71600937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).