6-ethenyl-1-(pyridin-4-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxylic acid

C15H12N4O2 — CID 71601063

IUPAC6-ethenyl-1-(pyridin-4-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxylic acid
SMILESC=Cc1cc(C(=O)O)c2cnn(Cc3ccncc3)c2n1
InChIInChI=1S/C15H12N4O2/c1-2-11-7-12(15(20)21)13-8-17-19(14(13)18-11)9-10-3-5-16-6-4-10/h2-8H,1,9H2,(H,20,21)
InChIKeyNLWLXPLCMWPLHV-UHFFFAOYSA-N
MW280.29 g/mol
LogP2.22
Rot. Bonds4

About 6-ethenyl-1-(pyridin-4-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxylic acid

6-ethenyl-1-(pyridin-4-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxylic acid (PubChem CID 71601063) has the molecular formula C15H12N4O2 and a molecular weight of 280.29 g/mol. Its IUPAC name is 6-ethenyl-1-(pyridin-4-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name6-ethenyl-1-(pyridin-4-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxylic acid
PubChem CID71601063
Molecular FormulaC15H12N4O2
Molecular Weight280.29 g/mol
Exact Mass280.10
IUPAC Name6-ethenyl-1-(pyridin-4-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxylic acid
SMILESC=Cc1cc(C(=O)O)c2cnn(Cc3ccncc3)c2n1
InChIInChI=1S/C15H12N4O2/c1-2-11-7-12(15(20)21)13-8-17-19(14(13)18-11)9-10-3-5-16-6-4-10/h2-8H,1,9H2,(H,20,21)
InChIKeyNLWLXPLCMWPLHV-UHFFFAOYSA-N
XLogP2.22
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-ethenyl-1-(pyridin-4-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxylic acid?
The IUPAC name of 6-ethenyl-1-(pyridin-4-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxylic acid (CID 71601063) is 6-ethenyl-1-(pyridin-4-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxylic acid.
What is the SMILES notation for 6-ethenyl-1-(pyridin-4-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxylic acid?
The canonical SMILES for 6-ethenyl-1-(pyridin-4-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxylic acid is C=Cc1cc(C(=O)O)c2cnn(Cc3ccncc3)c2n1.
What is the InChIKey of 6-ethenyl-1-(pyridin-4-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxylic acid?
The InChIKey is NLWLXPLCMWPLHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O2/c1-2-11-7-12(15(20)21)13-8-17-19(14(13)18-11)9-10-3-5-16-6-4-10/h2-8H,1,9H2,(H,20,21).
What are the key properties of 6-ethenyl-1-(pyridin-4-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxylic acid?
6-ethenyl-1-(pyridin-4-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxylic acid has a molecular weight of 280.29 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethenyl-1-(pyridin-4-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxylic acid is sourced from PubChem (CID 71601063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).