4-(4-bromophenyl)-1,3-diphenylpyrazolo[3,4-b]pyridine

C24H16BrN3 — CID 17308069

IUPAC4-(4-bromophenyl)-1,3-diphenylpyrazolo[3,4-b]pyridine
SMILESBrc1ccc(-c2ccnc3c2c(-c2ccccc2)nn3-c2ccccc2)cc1
InChIInChI=1S/C24H16BrN3/c25-19-13-11-17(12-14-19)21-15-16-26-24-22(21)23(18-7-3-1-4-8-18)27-28(24)20-9-5-2-6-10-20/h1-16H
InChIKeyWVFNGVLURDKOCR-UHFFFAOYSA-N
MW426.32 g/mol
LogP6.52
Rot. Bonds3

About 4-(4-bromophenyl)-1,3-diphenylpyrazolo[3,4-b]pyridine

4-(4-bromophenyl)-1,3-diphenylpyrazolo[3,4-b]pyridine (PubChem CID 17308069) has the molecular formula C24H16BrN3 and a molecular weight of 426.32 g/mol. Its IUPAC name is 4-(4-bromophenyl)-1,3-diphenylpyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name4-(4-bromophenyl)-1,3-diphenylpyrazolo[3,4-b]pyridine
PubChem CID17308069
Molecular FormulaC24H16BrN3
Molecular Weight426.32 g/mol
Exact Mass425.05
IUPAC Name4-(4-bromophenyl)-1,3-diphenylpyrazolo[3,4-b]pyridine
SMILESBrc1ccc(-c2ccnc3c2c(-c2ccccc2)nn3-c2ccccc2)cc1
InChIInChI=1S/C24H16BrN3/c25-19-13-11-17(12-14-19)21-15-16-26-24-22(21)23(18-7-3-1-4-8-18)27-28(24)20-9-5-2-6-10-20/h1-16H
InChIKeyWVFNGVLURDKOCR-UHFFFAOYSA-N
XLogP6.52
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.32
LogP ≤ 56.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-1,3-diphenylpyrazolo[3,4-b]pyridine?
The IUPAC name of 4-(4-bromophenyl)-1,3-diphenylpyrazolo[3,4-b]pyridine (CID 17308069) is 4-(4-bromophenyl)-1,3-diphenylpyrazolo[3,4-b]pyridine.
What is the SMILES notation for 4-(4-bromophenyl)-1,3-diphenylpyrazolo[3,4-b]pyridine?
The canonical SMILES for 4-(4-bromophenyl)-1,3-diphenylpyrazolo[3,4-b]pyridine is Brc1ccc(-c2ccnc3c2c(-c2ccccc2)nn3-c2ccccc2)cc1.
What is the InChIKey of 4-(4-bromophenyl)-1,3-diphenylpyrazolo[3,4-b]pyridine?
The InChIKey is WVFNGVLURDKOCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16BrN3/c25-19-13-11-17(12-14-19)21-15-16-26-24-22(21)23(18-7-3-1-4-8-18)27-28(24)20-9-5-2-6-10-20/h1-16H.
What are the key properties of 4-(4-bromophenyl)-1,3-diphenylpyrazolo[3,4-b]pyridine?
4-(4-bromophenyl)-1,3-diphenylpyrazolo[3,4-b]pyridine has a molecular weight of 426.32 g/mol, XLogP of 6.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-1,3-diphenylpyrazolo[3,4-b]pyridine is sourced from PubChem (CID 17308069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).