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

C22H16N4 — CID 134132914

IUPAC3-cyclopropyl-4,6-diphenyl-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile
SMILESN#Cc1c(-c2ccccc2)nc2n[nH]c(C3CC3)c2c1-c1ccccc1
InChIInChI=1S/C22H16N4/c23-13-17-18(14-7-3-1-4-8-14)19-21(16-11-12-16)25-26-22(19)24-20(17)15-9-5-2-6-10-15/h1-10,16H,11-12H2,(H,24,25,26)
InChIKeyGCCRJQIBIKESRK-UHFFFAOYSA-N
MW336.40 g/mol
LogP5.04
Rot. Bonds3

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

3-cyclopropyl-4,6-diphenyl-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile (PubChem CID 134132914) has the molecular formula C22H16N4 and a molecular weight of 336.40 g/mol. Its IUPAC name is 3-cyclopropyl-4,6-diphenyl-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile.

Molecular Properties

Compound Name3-cyclopropyl-4,6-diphenyl-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile
PubChem CID134132914
Molecular FormulaC22H16N4
Molecular Weight336.40 g/mol
Exact Mass336.14
IUPAC Name3-cyclopropyl-4,6-diphenyl-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile
SMILESN#Cc1c(-c2ccccc2)nc2n[nH]c(C3CC3)c2c1-c1ccccc1
InChIInChI=1S/C22H16N4/c23-13-17-18(14-7-3-1-4-8-14)19-21(16-11-12-16)25-26-22(19)24-20(17)15-9-5-2-6-10-15/h1-10,16H,11-12H2,(H,24,25,26)
InChIKeyGCCRJQIBIKESRK-UHFFFAOYSA-N
XLogP5.04
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.40
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-4,6-diphenyl-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile?
The IUPAC name of 3-cyclopropyl-4,6-diphenyl-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile (CID 134132914) is 3-cyclopropyl-4,6-diphenyl-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile.
What is the SMILES notation for 3-cyclopropyl-4,6-diphenyl-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile?
The canonical SMILES for 3-cyclopropyl-4,6-diphenyl-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile is N#Cc1c(-c2ccccc2)nc2n[nH]c(C3CC3)c2c1-c1ccccc1.
What is the InChIKey of 3-cyclopropyl-4,6-diphenyl-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile?
The InChIKey is GCCRJQIBIKESRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N4/c23-13-17-18(14-7-3-1-4-8-14)19-21(16-11-12-16)25-26-22(19)24-20(17)15-9-5-2-6-10-15/h1-10,16H,11-12H2,(H,24,25,26).
What are the key properties of 3-cyclopropyl-4,6-diphenyl-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile?
3-cyclopropyl-4,6-diphenyl-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile has a molecular weight of 336.40 g/mol, XLogP of 5.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-4,6-diphenyl-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile is sourced from PubChem (CID 134132914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).