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

C22H18N4 — CID 132530622

IUPAC3,6-diphenyl-4-propyl-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile
SMILESCCCc1c(C#N)c(-c2ccccc2)nc2n[nH]c(-c3ccccc3)c12
InChIInChI=1S/C22H18N4/c1-2-9-17-18(14-23)20(15-10-5-3-6-11-15)24-22-19(17)21(25-26-22)16-12-7-4-8-13-16/h3-8,10-13H,2,9H2,1H3,(H,24,25,26)
InChIKeyOWHLZKYXXOIHCQ-UHFFFAOYSA-N
MW338.41 g/mol
LogP5.12
Rot. Bonds4

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

3,6-diphenyl-4-propyl-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile (PubChem CID 132530622) has the molecular formula C22H18N4 and a molecular weight of 338.41 g/mol. Its IUPAC name is 3,6-diphenyl-4-propyl-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile.

Molecular Properties

Compound Name3,6-diphenyl-4-propyl-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile
PubChem CID132530622
Molecular FormulaC22H18N4
Molecular Weight338.41 g/mol
Exact Mass338.15
IUPAC Name3,6-diphenyl-4-propyl-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile
SMILESCCCc1c(C#N)c(-c2ccccc2)nc2n[nH]c(-c3ccccc3)c12
InChIInChI=1S/C22H18N4/c1-2-9-17-18(14-23)20(15-10-5-3-6-11-15)24-22-19(17)21(25-26-22)16-12-7-4-8-13-16/h3-8,10-13H,2,9H2,1H3,(H,24,25,26)
InChIKeyOWHLZKYXXOIHCQ-UHFFFAOYSA-N
XLogP5.12
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.41
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,6-diphenyl-4-propyl-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile?
The IUPAC name of 3,6-diphenyl-4-propyl-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile (CID 132530622) is 3,6-diphenyl-4-propyl-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile.
What is the SMILES notation for 3,6-diphenyl-4-propyl-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile?
The canonical SMILES for 3,6-diphenyl-4-propyl-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile is CCCc1c(C#N)c(-c2ccccc2)nc2n[nH]c(-c3ccccc3)c12.
What is the InChIKey of 3,6-diphenyl-4-propyl-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile?
The InChIKey is OWHLZKYXXOIHCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4/c1-2-9-17-18(14-23)20(15-10-5-3-6-11-15)24-22-19(17)21(25-26-22)16-12-7-4-8-13-16/h3-8,10-13H,2,9H2,1H3,(H,24,25,26).
What are the key properties of 3,6-diphenyl-4-propyl-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile?
3,6-diphenyl-4-propyl-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile has a molecular weight of 338.41 g/mol, XLogP of 5.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-diphenyl-4-propyl-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile is sourced from PubChem (CID 132530622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).