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

C22H16N4 — CID 134136288

IUPAC4-cyclopropyl-3,6-diphenyl-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile
SMILESN#Cc1c(-c2ccccc2)nc2n[nH]c(-c3ccccc3)c2c1C1CC1
InChIInChI=1S/C22H16N4/c23-13-17-18(14-11-12-14)19-21(16-9-5-2-6-10-16)25-26-22(19)24-20(17)15-7-3-1-4-8-15/h1-10,14H,11-12H2,(H,24,25,26)
InChIKeyIBKHRKCVFDSEOT-UHFFFAOYSA-N
MW336.40 g/mol
LogP5.04
Rot. Bonds3

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

4-cyclopropyl-3,6-diphenyl-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile (PubChem CID 134136288) has the molecular formula C22H16N4 and a molecular weight of 336.40 g/mol. Its IUPAC name is 4-cyclopropyl-3,6-diphenyl-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile.

Molecular Properties

Compound Name4-cyclopropyl-3,6-diphenyl-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile
PubChem CID134136288
Molecular FormulaC22H16N4
Molecular Weight336.40 g/mol
Exact Mass336.14
IUPAC Name4-cyclopropyl-3,6-diphenyl-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile
SMILESN#Cc1c(-c2ccccc2)nc2n[nH]c(-c3ccccc3)c2c1C1CC1
InChIInChI=1S/C22H16N4/c23-13-17-18(14-11-12-14)19-21(16-9-5-2-6-10-16)25-26-22(19)24-20(17)15-7-3-1-4-8-15/h1-10,14H,11-12H2,(H,24,25,26)
InChIKeyIBKHRKCVFDSEOT-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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Related Compounds

1H-pyrazolo[3,4-b]quinolin-3-amine
CID 667632
4-methyl-6-phenyl-2H-pyrazolo[3,4-d]pyrimidin-3-amine
CID 821854
1,3-diphenyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 5327820
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
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
N-{6-phenyl-1H-pyrazolo[3,4-b]pyridin-3-yl}cyclopropanecarboxamide
CID 6539565
N-{5-cyano-6-phenyl-1H-pyrazolo[3,4-b]pyridin-3-yl}cyclopropanecarboxamide
CID 6539580
5-Methyl-2,6-diphenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 684862
Smr000047648
CID 666394
2,5-Dimethyl-3,6-diphenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 684860

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-3,6-diphenyl-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile?
The IUPAC name of 4-cyclopropyl-3,6-diphenyl-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile (CID 134136288) is 4-cyclopropyl-3,6-diphenyl-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile.
What is the SMILES notation for 4-cyclopropyl-3,6-diphenyl-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile?
The canonical SMILES for 4-cyclopropyl-3,6-diphenyl-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile is N#Cc1c(-c2ccccc2)nc2n[nH]c(-c3ccccc3)c2c1C1CC1.
What is the InChIKey of 4-cyclopropyl-3,6-diphenyl-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile?
The InChIKey is IBKHRKCVFDSEOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N4/c23-13-17-18(14-11-12-14)19-21(16-9-5-2-6-10-16)25-26-22(19)24-20(17)15-7-3-1-4-8-15/h1-10,14H,11-12H2,(H,24,25,26).
What are the key properties of 4-cyclopropyl-3,6-diphenyl-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile?
4-cyclopropyl-3,6-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 4-cyclopropyl-3,6-diphenyl-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile is sourced from PubChem (CID 134136288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).