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

C22H18N4 — CID 134147277

IUPAC4,6-diphenyl-3-propan-2-yl-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile
SMILESCC(C)c1[nH]nc2nc(-c3ccccc3)c(C#N)c(-c3ccccc3)c12
InChIInChI=1S/C22H18N4/c1-14(2)20-19-18(15-9-5-3-6-10-15)17(13-23)21(24-22(19)26-25-20)16-11-7-4-8-12-16/h3-12,14H,1-2H3,(H,24,25,26)
InChIKeyZTILUNBDAIWUAM-UHFFFAOYSA-N
MW338.41 g/mol
LogP5.29
Rot. Bonds3

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

4,6-diphenyl-3-propan-2-yl-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile (PubChem CID 134147277) has the molecular formula C22H18N4 and a molecular weight of 338.41 g/mol. Its IUPAC name is 4,6-diphenyl-3-propan-2-yl-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile.

Molecular Properties

Compound Name4,6-diphenyl-3-propan-2-yl-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile
PubChem CID134147277
Molecular FormulaC22H18N4
Molecular Weight338.41 g/mol
Exact Mass338.15
IUPAC Name4,6-diphenyl-3-propan-2-yl-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile
SMILESCC(C)c1[nH]nc2nc(-c3ccccc3)c(C#N)c(-c3ccccc3)c12
InChIInChI=1S/C22H18N4/c1-14(2)20-19-18(15-9-5-3-6-10-15)17(13-23)21(24-22(19)26-25-20)16-11-7-4-8-12-16/h3-12,14H,1-2H3,(H,24,25,26)
InChIKeyZTILUNBDAIWUAM-UHFFFAOYSA-N
XLogP5.29
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.41
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-Methyl-1H-pyrazolo(3,4-b)pyridin-3-amine
CID 768687
1H-pyrazolo[3,4-b]quinolin-3-amine
CID 667632
N-(5-methyl-1H-pyrazol-3-yl)-2-phenylquinazolin-4-amine
CID 6419766
4-methyl-6-phenyl-2H-pyrazolo[3,4-d]pyrimidin-3-amine
CID 821854
N-{5,6-diphenyl-1H-pyrazolo[3,4-b]pyridin-3-yl}cyclopropanecarboxamide
CID 6539577
3-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 14638904
2-(4-((4-((5-Cyclopropyl-1H-pyrazol-3-yl)amino)-6-methylpyrimidin-2-yl)amino)phenyl)acetonitrile
CID 45111335
7-[(1R)-1,2-diphenylethyl]-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine
CID 154702628
5-methyl-7-propyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine
CID 10410148
2-methyl-2-[3-(3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]butan-1-amine
CID 57969605
5-Methyl-3,6-diphenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 23604753
4,6-Dimethyl-1H-pyrazolo[3,4-b]pyridin-3-amine
CID 279219

Frequently Asked Questions

What is the IUPAC name of 4,6-diphenyl-3-propan-2-yl-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile?
The IUPAC name of 4,6-diphenyl-3-propan-2-yl-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile (CID 134147277) is 4,6-diphenyl-3-propan-2-yl-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile.
What is the SMILES notation for 4,6-diphenyl-3-propan-2-yl-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile?
The canonical SMILES for 4,6-diphenyl-3-propan-2-yl-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile is CC(C)c1[nH]nc2nc(-c3ccccc3)c(C#N)c(-c3ccccc3)c12.
What is the InChIKey of 4,6-diphenyl-3-propan-2-yl-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile?
The InChIKey is ZTILUNBDAIWUAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4/c1-14(2)20-19-18(15-9-5-3-6-10-15)17(13-23)21(24-22(19)26-25-20)16-11-7-4-8-12-16/h3-12,14H,1-2H3,(H,24,25,26).
What are the key properties of 4,6-diphenyl-3-propan-2-yl-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile?
4,6-diphenyl-3-propan-2-yl-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile has a molecular weight of 338.41 g/mol, XLogP of 5.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-diphenyl-3-propan-2-yl-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile is sourced from PubChem (CID 134147277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).