3,4,6-triphenyl-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile

C25H16N4 — CID 132530619

IUPAC3,4,6-triphenyl-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile
SMILESN#Cc1c(-c2ccccc2)nc2n[nH]c(-c3ccccc3)c2c1-c1ccccc1
InChIInChI=1S/C25H16N4/c26-16-20-21(17-10-4-1-5-11-17)22-24(19-14-8-3-9-15-19)28-29-25(22)27-23(20)18-12-6-2-7-13-18/h1-15H,(H,27,28,29)
InChIKeyJSEOSZLJTFXWSV-UHFFFAOYSA-N
MW372.43 g/mol
LogP5.83
Rot. Bonds3

About 3,4,6-triphenyl-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile

3,4,6-triphenyl-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile (PubChem CID 132530619) has the molecular formula C25H16N4 and a molecular weight of 372.43 g/mol. Its IUPAC name is 3,4,6-triphenyl-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile.

Molecular Properties

Compound Name3,4,6-triphenyl-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile
PubChem CID132530619
Molecular FormulaC25H16N4
Molecular Weight372.43 g/mol
Exact Mass372.14
IUPAC Name3,4,6-triphenyl-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile
SMILESN#Cc1c(-c2ccccc2)nc2n[nH]c(-c3ccccc3)c2c1-c1ccccc1
InChIInChI=1S/C25H16N4/c26-16-20-21(17-10-4-1-5-11-17)22-24(19-14-8-3-9-15-19)28-29-25(22)27-23(20)18-12-6-2-7-13-18/h1-15H,(H,27,28,29)
InChIKeyJSEOSZLJTFXWSV-UHFFFAOYSA-N
XLogP5.83
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.43
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4,6-triphenyl-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile?
The IUPAC name of 3,4,6-triphenyl-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile (CID 132530619) is 3,4,6-triphenyl-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile.
What is the SMILES notation for 3,4,6-triphenyl-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile?
The canonical SMILES for 3,4,6-triphenyl-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile is N#Cc1c(-c2ccccc2)nc2n[nH]c(-c3ccccc3)c2c1-c1ccccc1.
What is the InChIKey of 3,4,6-triphenyl-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile?
The InChIKey is JSEOSZLJTFXWSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16N4/c26-16-20-21(17-10-4-1-5-11-17)22-24(19-14-8-3-9-15-19)28-29-25(22)27-23(20)18-12-6-2-7-13-18/h1-15H,(H,27,28,29).
What are the key properties of 3,4,6-triphenyl-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile?
3,4,6-triphenyl-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile has a molecular weight of 372.43 g/mol, XLogP of 5.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,6-triphenyl-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile is sourced from PubChem (CID 132530619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).