6-(3-phenylphenyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid

C25H18N4O2 — CID 71600677

IUPAC6-(3-phenylphenyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(-c2cccc(-c3ccccc3)c2)nc2c1cnn2Cc1ccncc1
InChIInChI=1S/C25H18N4O2/c30-25(31)21-14-23(20-8-4-7-19(13-20)18-5-2-1-3-6-18)28-24-22(21)15-27-29(24)16-17-9-11-26-12-10-17/h1-15H,16H2,(H,30,31)
InChIKeyWNQLXMUVKANQBZ-UHFFFAOYSA-N
MW406.45 g/mol
LogP4.91
Rot. Bonds5

About 6-(3-phenylphenyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid

6-(3-phenylphenyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid (PubChem CID 71600677) has the molecular formula C25H18N4O2 and a molecular weight of 406.45 g/mol. Its IUPAC name is 6-(3-phenylphenyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name6-(3-phenylphenyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
PubChem CID71600677
Molecular FormulaC25H18N4O2
Molecular Weight406.45 g/mol
Exact Mass406.14
IUPAC Name6-(3-phenylphenyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(-c2cccc(-c3ccccc3)c2)nc2c1cnn2Cc1ccncc1
InChIInChI=1S/C25H18N4O2/c30-25(31)21-14-23(20-8-4-7-19(13-20)18-5-2-1-3-6-18)28-24-22(21)15-27-29(24)16-17-9-11-26-12-10-17/h1-15H,16H2,(H,30,31)
InChIKeyWNQLXMUVKANQBZ-UHFFFAOYSA-N
XLogP4.91
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.45
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(3-phenylphenyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid?
The IUPAC name of 6-(3-phenylphenyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid (CID 71600677) is 6-(3-phenylphenyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid.
What is the SMILES notation for 6-(3-phenylphenyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid?
The canonical SMILES for 6-(3-phenylphenyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid is O=C(O)c1cc(-c2cccc(-c3ccccc3)c2)nc2c1cnn2Cc1ccncc1.
What is the InChIKey of 6-(3-phenylphenyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid?
The InChIKey is WNQLXMUVKANQBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18N4O2/c30-25(31)21-14-23(20-8-4-7-19(13-20)18-5-2-1-3-6-18)28-24-22(21)15-27-29(24)16-17-9-11-26-12-10-17/h1-15H,16H2,(H,30,31).
What are the key properties of 6-(3-phenylphenyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid?
6-(3-phenylphenyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid has a molecular weight of 406.45 g/mol, XLogP of 4.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-phenylphenyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid is sourced from PubChem (CID 71600677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).