4-imidazo[4,5-b]pyridin-3-ylsulfonylbenzonitrile

C13H8N4O2S — CID 178021909

IUPAC4-imidazo[4,5-b]pyridin-3-ylsulfonylbenzonitrile
SMILESN#Cc1ccc(S(=O)(=O)n2cnc3cccnc32)cc1
InChIInChI=1S/C13H8N4O2S/c14-8-10-3-5-11(6-4-10)20(18,19)17-9-16-12-2-1-7-15-13(12)17/h1-7,9H
InChIKeyDJGUQEPMVJUXSV-UHFFFAOYSA-N
MW284.30 g/mol
LogP1.54
Rot. Bonds2

About 4-imidazo[4,5-b]pyridin-3-ylsulfonylbenzonitrile

4-imidazo[4,5-b]pyridin-3-ylsulfonylbenzonitrile (PubChem CID 178021909) has the molecular formula C13H8N4O2S and a molecular weight of 284.30 g/mol. Its IUPAC name is 4-imidazo[4,5-b]pyridin-3-ylsulfonylbenzonitrile.

Molecular Properties

Compound Name4-imidazo[4,5-b]pyridin-3-ylsulfonylbenzonitrile
PubChem CID178021909
Molecular FormulaC13H8N4O2S
Molecular Weight284.30 g/mol
Exact Mass284.04
IUPAC Name4-imidazo[4,5-b]pyridin-3-ylsulfonylbenzonitrile
SMILESN#Cc1ccc(S(=O)(=O)n2cnc3cccnc32)cc1
InChIInChI=1S/C13H8N4O2S/c14-8-10-3-5-11(6-4-10)20(18,19)17-9-16-12-2-1-7-15-13(12)17/h1-7,9H
InChIKeyDJGUQEPMVJUXSV-UHFFFAOYSA-N
XLogP1.54
TPSA88.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.30
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-imidazo[4,5-b]pyridin-3-ylsulfonylbenzonitrile?
The IUPAC name of 4-imidazo[4,5-b]pyridin-3-ylsulfonylbenzonitrile (CID 178021909) is 4-imidazo[4,5-b]pyridin-3-ylsulfonylbenzonitrile.
What is the SMILES notation for 4-imidazo[4,5-b]pyridin-3-ylsulfonylbenzonitrile?
The canonical SMILES for 4-imidazo[4,5-b]pyridin-3-ylsulfonylbenzonitrile is N#Cc1ccc(S(=O)(=O)n2cnc3cccnc32)cc1.
What is the InChIKey of 4-imidazo[4,5-b]pyridin-3-ylsulfonylbenzonitrile?
The InChIKey is DJGUQEPMVJUXSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8N4O2S/c14-8-10-3-5-11(6-4-10)20(18,19)17-9-16-12-2-1-7-15-13(12)17/h1-7,9H.
What are the key properties of 4-imidazo[4,5-b]pyridin-3-ylsulfonylbenzonitrile?
4-imidazo[4,5-b]pyridin-3-ylsulfonylbenzonitrile has a molecular weight of 284.30 g/mol, XLogP of 1.54, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imidazo[4,5-b]pyridin-3-ylsulfonylbenzonitrile is sourced from PubChem (CID 178021909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).