3-(4-chlorophenyl)-4,6-diphenyl-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile

C25H15ClN4 — CID 134141244

IUPAC3-(4-chlorophenyl)-4,6-diphenyl-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile
SMILESN#Cc1c(-c2ccccc2)nc2n[nH]c(-c3ccc(Cl)cc3)c2c1-c1ccccc1
InChIInChI=1S/C25H15ClN4/c26-19-13-11-18(12-14-19)24-22-21(16-7-3-1-4-8-16)20(15-27)23(28-25(22)30-29-24)17-9-5-2-6-10-17/h1-14H,(H,28,29,30)
InChIKeyFWRRYSDIXATUJY-UHFFFAOYSA-N
MW406.88 g/mol
LogP6.48
Rot. Bonds3

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

3-(4-chlorophenyl)-4,6-diphenyl-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile (PubChem CID 134141244) has the molecular formula C25H15ClN4 and a molecular weight of 406.88 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-4,6-diphenyl-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile.

Molecular Properties

Compound Name3-(4-chlorophenyl)-4,6-diphenyl-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile
PubChem CID134141244
Molecular FormulaC25H15ClN4
Molecular Weight406.88 g/mol
Exact Mass406.10
IUPAC Name3-(4-chlorophenyl)-4,6-diphenyl-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile
SMILESN#Cc1c(-c2ccccc2)nc2n[nH]c(-c3ccc(Cl)cc3)c2c1-c1ccccc1
InChIInChI=1S/C25H15ClN4/c26-19-13-11-18(12-14-19)24-22-21(16-7-3-1-4-8-16)20(15-27)23(28-25(22)30-29-24)17-9-5-2-6-10-17/h1-14H,(H,28,29,30)
InChIKeyFWRRYSDIXATUJY-UHFFFAOYSA-N
XLogP6.48
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.88
LogP ≤ 56.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-4,6-diphenyl-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile?
The IUPAC name of 3-(4-chlorophenyl)-4,6-diphenyl-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile (CID 134141244) is 3-(4-chlorophenyl)-4,6-diphenyl-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile.
What is the SMILES notation for 3-(4-chlorophenyl)-4,6-diphenyl-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile?
The canonical SMILES for 3-(4-chlorophenyl)-4,6-diphenyl-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile is N#Cc1c(-c2ccccc2)nc2n[nH]c(-c3ccc(Cl)cc3)c2c1-c1ccccc1.
What is the InChIKey of 3-(4-chlorophenyl)-4,6-diphenyl-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile?
The InChIKey is FWRRYSDIXATUJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H15ClN4/c26-19-13-11-18(12-14-19)24-22-21(16-7-3-1-4-8-16)20(15-27)23(28-25(22)30-29-24)17-9-5-2-6-10-17/h1-14H,(H,28,29,30).
What are the key properties of 3-(4-chlorophenyl)-4,6-diphenyl-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile?
3-(4-chlorophenyl)-4,6-diphenyl-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile has a molecular weight of 406.88 g/mol, XLogP of 6.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-4,6-diphenyl-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile is sourced from PubChem (CID 134141244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).