4-(4-bromophenyl)-1-phenyl-3-pyridin-3-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid

C24H15BrN4O2 — CID 57328410

IUPAC4-(4-bromophenyl)-1-phenyl-3-pyridin-3-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(Br)cc2)c2c(-c3cccnc3)nn(-c3ccccc3)c2n1
InChIInChI=1S/C24H15BrN4O2/c25-17-10-8-15(9-11-17)19-13-20(24(30)31)27-23-21(19)22(16-5-4-12-26-14-16)28-29(23)18-6-2-1-3-7-18/h1-14H,(H,30,31)
InChIKeyYZTJZHBRMCTNHU-UHFFFAOYSA-N
MW471.31 g/mol
LogP5.61
Rot. Bonds4

About 4-(4-bromophenyl)-1-phenyl-3-pyridin-3-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid

4-(4-bromophenyl)-1-phenyl-3-pyridin-3-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid (PubChem CID 57328410) has the molecular formula C24H15BrN4O2 and a molecular weight of 471.31 g/mol. Its IUPAC name is 4-(4-bromophenyl)-1-phenyl-3-pyridin-3-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name4-(4-bromophenyl)-1-phenyl-3-pyridin-3-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid
PubChem CID57328410
Molecular FormulaC24H15BrN4O2
Molecular Weight471.31 g/mol
Exact Mass470.04
IUPAC Name4-(4-bromophenyl)-1-phenyl-3-pyridin-3-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(Br)cc2)c2c(-c3cccnc3)nn(-c3ccccc3)c2n1
InChIInChI=1S/C24H15BrN4O2/c25-17-10-8-15(9-11-17)19-13-20(24(30)31)27-23-21(19)22(16-5-4-12-26-14-16)28-29(23)18-6-2-1-3-7-18/h1-14H,(H,30,31)
InChIKeyYZTJZHBRMCTNHU-UHFFFAOYSA-N
XLogP5.61
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.31
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-1-phenyl-3-pyridin-3-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid?
The IUPAC name of 4-(4-bromophenyl)-1-phenyl-3-pyridin-3-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid (CID 57328410) is 4-(4-bromophenyl)-1-phenyl-3-pyridin-3-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid.
What is the SMILES notation for 4-(4-bromophenyl)-1-phenyl-3-pyridin-3-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid?
The canonical SMILES for 4-(4-bromophenyl)-1-phenyl-3-pyridin-3-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid is O=C(O)c1cc(-c2ccc(Br)cc2)c2c(-c3cccnc3)nn(-c3ccccc3)c2n1.
What is the InChIKey of 4-(4-bromophenyl)-1-phenyl-3-pyridin-3-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid?
The InChIKey is YZTJZHBRMCTNHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15BrN4O2/c25-17-10-8-15(9-11-17)19-13-20(24(30)31)27-23-21(19)22(16-5-4-12-26-14-16)28-29(23)18-6-2-1-3-7-18/h1-14H,(H,30,31).
What are the key properties of 4-(4-bromophenyl)-1-phenyl-3-pyridin-3-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid?
4-(4-bromophenyl)-1-phenyl-3-pyridin-3-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid has a molecular weight of 471.31 g/mol, XLogP of 5.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-1-phenyl-3-pyridin-3-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid is sourced from PubChem (CID 57328410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).