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

C18H14N4O2S — CID 71600810

IUPAC6-(4-methylthiophen-2-yl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
SMILESCc1csc(-c2cc(C(=O)O)c3cnn(Cc4ccncc4)c3n2)c1
InChIInChI=1S/C18H14N4O2S/c1-11-6-16(25-10-11)15-7-13(18(23)24)14-8-20-22(17(14)21-15)9-12-2-4-19-5-3-12/h2-8,10H,9H2,1H3,(H,23,24)
InChIKeyKCXAUHYSBZRIDP-UHFFFAOYSA-N
MW350.40 g/mol
LogP3.61
Rot. Bonds4

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

6-(4-methylthiophen-2-yl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid (PubChem CID 71600810) has the molecular formula C18H14N4O2S and a molecular weight of 350.40 g/mol. Its IUPAC name is 6-(4-methylthiophen-2-yl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name6-(4-methylthiophen-2-yl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
PubChem CID71600810
Molecular FormulaC18H14N4O2S
Molecular Weight350.40 g/mol
Exact Mass350.08
IUPAC Name6-(4-methylthiophen-2-yl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
SMILESCc1csc(-c2cc(C(=O)O)c3cnn(Cc4ccncc4)c3n2)c1
InChIInChI=1S/C18H14N4O2S/c1-11-6-16(25-10-11)15-7-13(18(23)24)14-8-20-22(17(14)21-15)9-12-2-4-19-5-3-12/h2-8,10H,9H2,1H3,(H,23,24)
InChIKeyKCXAUHYSBZRIDP-UHFFFAOYSA-N
XLogP3.61
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methylthiophen-2-yl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid?
The IUPAC name of 6-(4-methylthiophen-2-yl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid (CID 71600810) is 6-(4-methylthiophen-2-yl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid.
What is the SMILES notation for 6-(4-methylthiophen-2-yl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid?
The canonical SMILES for 6-(4-methylthiophen-2-yl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid is Cc1csc(-c2cc(C(=O)O)c3cnn(Cc4ccncc4)c3n2)c1.
What is the InChIKey of 6-(4-methylthiophen-2-yl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid?
The InChIKey is KCXAUHYSBZRIDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O2S/c1-11-6-16(25-10-11)15-7-13(18(23)24)14-8-20-22(17(14)21-15)9-12-2-4-19-5-3-12/h2-8,10H,9H2,1H3,(H,23,24).
What are the key properties of 6-(4-methylthiophen-2-yl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid?
6-(4-methylthiophen-2-yl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid has a molecular weight of 350.40 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylthiophen-2-yl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid is sourced from PubChem (CID 71600810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).