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

C20H14N4 — CID 132530624

IUPAC3-methyl-4,6-diphenyl-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile
SMILESCc1[nH]nc2nc(-c3ccccc3)c(C#N)c(-c3ccccc3)c12
InChIInChI=1S/C20H14N4/c1-13-17-18(14-8-4-2-5-9-14)16(12-21)19(22-20(17)24-23-13)15-10-6-3-7-11-15/h2-11H,1H3,(H,22,23,24)
InChIKeyLLHOBBAOOLYNKS-UHFFFAOYSA-N
MW310.36 g/mol
LogP4.47
Rot. Bonds2

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

3-methyl-4,6-diphenyl-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile (PubChem CID 132530624) has the molecular formula C20H14N4 and a molecular weight of 310.36 g/mol. Its IUPAC name is 3-methyl-4,6-diphenyl-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile.

Molecular Properties

Compound Name3-methyl-4,6-diphenyl-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile
PubChem CID132530624
Molecular FormulaC20H14N4
Molecular Weight310.36 g/mol
Exact Mass310.12
IUPAC Name3-methyl-4,6-diphenyl-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile
SMILESCc1[nH]nc2nc(-c3ccccc3)c(C#N)c(-c3ccccc3)c12
InChIInChI=1S/C20H14N4/c1-13-17-18(14-8-4-2-5-9-14)16(12-21)19(22-20(17)24-23-13)15-10-6-3-7-11-15/h2-11H,1H3,(H,22,23,24)
InChIKeyLLHOBBAOOLYNKS-UHFFFAOYSA-N
XLogP4.47
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4,6-diphenyl-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile?
The IUPAC name of 3-methyl-4,6-diphenyl-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile (CID 132530624) is 3-methyl-4,6-diphenyl-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile.
What is the SMILES notation for 3-methyl-4,6-diphenyl-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile?
The canonical SMILES for 3-methyl-4,6-diphenyl-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile is Cc1[nH]nc2nc(-c3ccccc3)c(C#N)c(-c3ccccc3)c12.
What is the InChIKey of 3-methyl-4,6-diphenyl-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile?
The InChIKey is LLHOBBAOOLYNKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N4/c1-13-17-18(14-8-4-2-5-9-14)16(12-21)19(22-20(17)24-23-13)15-10-6-3-7-11-15/h2-11H,1H3,(H,22,23,24).
What are the key properties of 3-methyl-4,6-diphenyl-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile?
3-methyl-4,6-diphenyl-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile has a molecular weight of 310.36 g/mol, XLogP of 4.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4,6-diphenyl-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile is sourced from PubChem (CID 132530624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).