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

C25H17BrN4O2 — CID 71600806

IUPAC6-[4-(4-bromophenyl)phenyl]-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(-c3ccc(Br)cc3)cc2)nc2c1cnn2Cc1ccncc1
InChIInChI=1S/C25H17BrN4O2/c26-20-7-5-18(6-8-20)17-1-3-19(4-2-17)23-13-21(25(31)32)22-14-28-30(24(22)29-23)15-16-9-11-27-12-10-16/h1-14H,15H2,(H,31,32)
InChIKeyQRZKQNHRYDWASY-UHFFFAOYSA-N
MW485.34 g/mol
LogP5.67
Rot. Bonds5

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

6-[4-(4-bromophenyl)phenyl]-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid (PubChem CID 71600806) has the molecular formula C25H17BrN4O2 and a molecular weight of 485.34 g/mol. Its IUPAC name is 6-[4-(4-bromophenyl)phenyl]-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name6-[4-(4-bromophenyl)phenyl]-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
PubChem CID71600806
Molecular FormulaC25H17BrN4O2
Molecular Weight485.34 g/mol
Exact Mass484.05
IUPAC Name6-[4-(4-bromophenyl)phenyl]-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(-c3ccc(Br)cc3)cc2)nc2c1cnn2Cc1ccncc1
InChIInChI=1S/C25H17BrN4O2/c26-20-7-5-18(6-8-20)17-1-3-19(4-2-17)23-13-21(25(31)32)22-14-28-30(24(22)29-23)15-16-9-11-27-12-10-16/h1-14H,15H2,(H,31,32)
InChIKeyQRZKQNHRYDWASY-UHFFFAOYSA-N
XLogP5.67
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.34
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-bromophenyl)phenyl]-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid?
The IUPAC name of 6-[4-(4-bromophenyl)phenyl]-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid (CID 71600806) is 6-[4-(4-bromophenyl)phenyl]-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid.
What is the SMILES notation for 6-[4-(4-bromophenyl)phenyl]-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid?
The canonical SMILES for 6-[4-(4-bromophenyl)phenyl]-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid is O=C(O)c1cc(-c2ccc(-c3ccc(Br)cc3)cc2)nc2c1cnn2Cc1ccncc1.
What is the InChIKey of 6-[4-(4-bromophenyl)phenyl]-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid?
The InChIKey is QRZKQNHRYDWASY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17BrN4O2/c26-20-7-5-18(6-8-20)17-1-3-19(4-2-17)23-13-21(25(31)32)22-14-28-30(24(22)29-23)15-16-9-11-27-12-10-16/h1-14H,15H2,(H,31,32).
What are the key properties of 6-[4-(4-bromophenyl)phenyl]-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid?
6-[4-(4-bromophenyl)phenyl]-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid has a molecular weight of 485.34 g/mol, XLogP of 5.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-bromophenyl)phenyl]-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid is sourced from PubChem (CID 71600806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).