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

C25H17ClN4O2 — CID 71600807

IUPAC6-[2-(2-chlorophenyl)phenyl]-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(-c2ccccc2-c2ccccc2Cl)nc2c1cnn2Cc1ccncc1
InChIInChI=1S/C25H17ClN4O2/c26-22-8-4-3-6-18(22)17-5-1-2-7-19(17)23-13-20(25(31)32)21-14-28-30(24(21)29-23)15-16-9-11-27-12-10-16/h1-14H,15H2,(H,31,32)
InChIKeySGKFLQXMQKMHNA-UHFFFAOYSA-N
MW440.89 g/mol
LogP5.56
Rot. Bonds5

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

6-[2-(2-chlorophenyl)phenyl]-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid (PubChem CID 71600807) has the molecular formula C25H17ClN4O2 and a molecular weight of 440.89 g/mol. Its IUPAC name is 6-[2-(2-chlorophenyl)phenyl]-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name6-[2-(2-chlorophenyl)phenyl]-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
PubChem CID71600807
Molecular FormulaC25H17ClN4O2
Molecular Weight440.89 g/mol
Exact Mass440.10
IUPAC Name6-[2-(2-chlorophenyl)phenyl]-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(-c2ccccc2-c2ccccc2Cl)nc2c1cnn2Cc1ccncc1
InChIInChI=1S/C25H17ClN4O2/c26-22-8-4-3-6-18(22)17-5-1-2-7-19(17)23-13-20(25(31)32)21-14-28-30(24(21)29-23)15-16-9-11-27-12-10-16/h1-14H,15H2,(H,31,32)
InChIKeySGKFLQXMQKMHNA-UHFFFAOYSA-N
XLogP5.56
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.89
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(2-chlorophenyl)phenyl]-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid?
The IUPAC name of 6-[2-(2-chlorophenyl)phenyl]-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid (CID 71600807) is 6-[2-(2-chlorophenyl)phenyl]-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid.
What is the SMILES notation for 6-[2-(2-chlorophenyl)phenyl]-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid?
The canonical SMILES for 6-[2-(2-chlorophenyl)phenyl]-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid is O=C(O)c1cc(-c2ccccc2-c2ccccc2Cl)nc2c1cnn2Cc1ccncc1.
What is the InChIKey of 6-[2-(2-chlorophenyl)phenyl]-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid?
The InChIKey is SGKFLQXMQKMHNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17ClN4O2/c26-22-8-4-3-6-18(22)17-5-1-2-7-19(17)23-13-20(25(31)32)21-14-28-30(24(21)29-23)15-16-9-11-27-12-10-16/h1-14H,15H2,(H,31,32).
What are the key properties of 6-[2-(2-chlorophenyl)phenyl]-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid?
6-[2-(2-chlorophenyl)phenyl]-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid has a molecular weight of 440.89 g/mol, XLogP of 5.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(2-chlorophenyl)phenyl]-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid is sourced from PubChem (CID 71600807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).