3-tert-butyl-4,6-diphenyl-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile

C23H20N4 — CID 134139501

IUPAC3-tert-butyl-4,6-diphenyl-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile
SMILESCC(C)(C)c1[nH]nc2nc(-c3ccccc3)c(C#N)c(-c3ccccc3)c12
InChIInChI=1S/C23H20N4/c1-23(2,3)21-19-18(15-10-6-4-7-11-15)17(14-24)20(25-22(19)27-26-21)16-12-8-5-9-13-16/h4-13H,1-3H3,(H,25,26,27)
InChIKeyFCPBSQHWJREWJR-UHFFFAOYSA-N
MW352.44 g/mol
LogP5.46
Rot. Bonds2

About 3-tert-butyl-4,6-diphenyl-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile

3-tert-butyl-4,6-diphenyl-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile (PubChem CID 134139501) has the molecular formula C23H20N4 and a molecular weight of 352.44 g/mol. Its IUPAC name is 3-tert-butyl-4,6-diphenyl-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile.

Molecular Properties

Compound Name3-tert-butyl-4,6-diphenyl-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile
PubChem CID134139501
Molecular FormulaC23H20N4
Molecular Weight352.44 g/mol
Exact Mass352.17
IUPAC Name3-tert-butyl-4,6-diphenyl-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile
SMILESCC(C)(C)c1[nH]nc2nc(-c3ccccc3)c(C#N)c(-c3ccccc3)c12
InChIInChI=1S/C23H20N4/c1-23(2,3)21-19-18(15-10-6-4-7-11-15)17(14-24)20(25-22(19)27-26-21)16-12-8-5-9-13-16/h4-13H,1-3H3,(H,25,26,27)
InChIKeyFCPBSQHWJREWJR-UHFFFAOYSA-N
XLogP5.46
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.44
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-4,6-diphenyl-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile?
The IUPAC name of 3-tert-butyl-4,6-diphenyl-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile (CID 134139501) is 3-tert-butyl-4,6-diphenyl-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile.
What is the SMILES notation for 3-tert-butyl-4,6-diphenyl-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile?
The canonical SMILES for 3-tert-butyl-4,6-diphenyl-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile is CC(C)(C)c1[nH]nc2nc(-c3ccccc3)c(C#N)c(-c3ccccc3)c12.
What is the InChIKey of 3-tert-butyl-4,6-diphenyl-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile?
The InChIKey is FCPBSQHWJREWJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4/c1-23(2,3)21-19-18(15-10-6-4-7-11-15)17(14-24)20(25-22(19)27-26-21)16-12-8-5-9-13-16/h4-13H,1-3H3,(H,25,26,27).
What are the key properties of 3-tert-butyl-4,6-diphenyl-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile?
3-tert-butyl-4,6-diphenyl-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile has a molecular weight of 352.44 g/mol, XLogP of 5.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-4,6-diphenyl-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile is sourced from PubChem (CID 134139501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).