2-(3-ethylsulfonylimidazo[1,2-a]pyridin-6-yl)-2-methylpropanenitrile

C13H15N3O2S — CID 167266161

IUPAC2-(3-ethylsulfonylimidazo[1,2-a]pyridin-6-yl)-2-methylpropanenitrile
SMILESCCS(=O)(=O)c1cnc2ccc(C(C)(C)C#N)cn12
InChIInChI=1S/C13H15N3O2S/c1-4-19(17,18)12-7-15-11-6-5-10(8-16(11)12)13(2,3)9-14/h5-8H,4H2,1-3H3
InChIKeyGELPRWDQNCRCDO-UHFFFAOYSA-N
MW277.35 g/mol
LogP1.93
Rot. Bonds3

About 2-(3-ethylsulfonylimidazo[1,2-a]pyridin-6-yl)-2-methylpropanenitrile

2-(3-ethylsulfonylimidazo[1,2-a]pyridin-6-yl)-2-methylpropanenitrile (PubChem CID 167266161) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is 2-(3-ethylsulfonylimidazo[1,2-a]pyridin-6-yl)-2-methylpropanenitrile.

Molecular Properties

Compound Name2-(3-ethylsulfonylimidazo[1,2-a]pyridin-6-yl)-2-methylpropanenitrile
PubChem CID167266161
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC Name2-(3-ethylsulfonylimidazo[1,2-a]pyridin-6-yl)-2-methylpropanenitrile
SMILESCCS(=O)(=O)c1cnc2ccc(C(C)(C)C#N)cn12
InChIInChI=1S/C13H15N3O2S/c1-4-19(17,18)12-7-15-11-6-5-10(8-16(11)12)13(2,3)9-14/h5-8H,4H2,1-3H3
InChIKeyGELPRWDQNCRCDO-UHFFFAOYSA-N
XLogP1.93
TPSA75.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylsulfonylimidazo[1,2-a]pyridin-6-yl)-2-methylpropanenitrile?
The IUPAC name of 2-(3-ethylsulfonylimidazo[1,2-a]pyridin-6-yl)-2-methylpropanenitrile (CID 167266161) is 2-(3-ethylsulfonylimidazo[1,2-a]pyridin-6-yl)-2-methylpropanenitrile.
What is the SMILES notation for 2-(3-ethylsulfonylimidazo[1,2-a]pyridin-6-yl)-2-methylpropanenitrile?
The canonical SMILES for 2-(3-ethylsulfonylimidazo[1,2-a]pyridin-6-yl)-2-methylpropanenitrile is CCS(=O)(=O)c1cnc2ccc(C(C)(C)C#N)cn12.
What is the InChIKey of 2-(3-ethylsulfonylimidazo[1,2-a]pyridin-6-yl)-2-methylpropanenitrile?
The InChIKey is GELPRWDQNCRCDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-4-19(17,18)12-7-15-11-6-5-10(8-16(11)12)13(2,3)9-14/h5-8H,4H2,1-3H3.
What are the key properties of 2-(3-ethylsulfonylimidazo[1,2-a]pyridin-6-yl)-2-methylpropanenitrile?
2-(3-ethylsulfonylimidazo[1,2-a]pyridin-6-yl)-2-methylpropanenitrile has a molecular weight of 277.35 g/mol, XLogP of 1.93, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylsulfonylimidazo[1,2-a]pyridin-6-yl)-2-methylpropanenitrile is sourced from PubChem (CID 167266161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).