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

C25H18N4O3 — CID 71600674

IUPAC6-(4-phenoxyphenyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(Oc3ccccc3)cc2)nc2c1cnn2Cc1ccncc1
InChIInChI=1S/C25H18N4O3/c30-25(31)21-14-23(18-6-8-20(9-7-18)32-19-4-2-1-3-5-19)28-24-22(21)15-27-29(24)16-17-10-12-26-13-11-17/h1-15H,16H2,(H,30,31)
InChIKeyTWEJQDJVTXZKRY-UHFFFAOYSA-N
MW422.44 g/mol
LogP5.03
Rot. Bonds6

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

6-(4-phenoxyphenyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid (PubChem CID 71600674) has the molecular formula C25H18N4O3 and a molecular weight of 422.44 g/mol. Its IUPAC name is 6-(4-phenoxyphenyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name6-(4-phenoxyphenyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
PubChem CID71600674
Molecular FormulaC25H18N4O3
Molecular Weight422.44 g/mol
Exact Mass422.14
IUPAC Name6-(4-phenoxyphenyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(Oc3ccccc3)cc2)nc2c1cnn2Cc1ccncc1
InChIInChI=1S/C25H18N4O3/c30-25(31)21-14-23(18-6-8-20(9-7-18)32-19-4-2-1-3-5-19)28-24-22(21)15-27-29(24)16-17-10-12-26-13-11-17/h1-15H,16H2,(H,30,31)
InChIKeyTWEJQDJVTXZKRY-UHFFFAOYSA-N
XLogP5.03
TPSA90.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.44
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(4-phenoxyphenyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid?
The IUPAC name of 6-(4-phenoxyphenyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid (CID 71600674) is 6-(4-phenoxyphenyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid.
What is the SMILES notation for 6-(4-phenoxyphenyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid?
The canonical SMILES for 6-(4-phenoxyphenyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid is O=C(O)c1cc(-c2ccc(Oc3ccccc3)cc2)nc2c1cnn2Cc1ccncc1.
What is the InChIKey of 6-(4-phenoxyphenyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid?
The InChIKey is TWEJQDJVTXZKRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18N4O3/c30-25(31)21-14-23(18-6-8-20(9-7-18)32-19-4-2-1-3-5-19)28-24-22(21)15-27-29(24)16-17-10-12-26-13-11-17/h1-15H,16H2,(H,30,31).
What are the key properties of 6-(4-phenoxyphenyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid?
6-(4-phenoxyphenyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid has a molecular weight of 422.44 g/mol, XLogP of 5.03, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-phenoxyphenyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid is sourced from PubChem (CID 71600674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).