2-(2-tert-butyl-5-methylimidazo[1,2-a]pyridin-3-yl)propanenitrile

C15H19N3 — CID 82029967

IUPAC2-(2-tert-butyl-5-methylimidazo[1,2-a]pyridin-3-yl)propanenitrile
SMILESCc1cccc2nc(C(C)(C)C)c(C(C)C#N)n12
InChIInChI=1S/C15H19N3/c1-10(9-16)13-14(15(3,4)5)17-12-8-6-7-11(2)18(12)13/h6-8,10H,1-5H3
InChIKeyJRZBISOEYGXSJN-UHFFFAOYSA-N
MW241.34 g/mol
LogP3.57
Rot. Bonds1

About 2-(2-tert-butyl-5-methylimidazo[1,2-a]pyridin-3-yl)propanenitrile

2-(2-tert-butyl-5-methylimidazo[1,2-a]pyridin-3-yl)propanenitrile (PubChem CID 82029967) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is 2-(2-tert-butyl-5-methylimidazo[1,2-a]pyridin-3-yl)propanenitrile.

Molecular Properties

Compound Name2-(2-tert-butyl-5-methylimidazo[1,2-a]pyridin-3-yl)propanenitrile
PubChem CID82029967
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name2-(2-tert-butyl-5-methylimidazo[1,2-a]pyridin-3-yl)propanenitrile
SMILESCc1cccc2nc(C(C)(C)C)c(C(C)C#N)n12
InChIInChI=1S/C15H19N3/c1-10(9-16)13-14(15(3,4)5)17-12-8-6-7-11(2)18(12)13/h6-8,10H,1-5H3
InChIKeyJRZBISOEYGXSJN-UHFFFAOYSA-N
XLogP3.57
TPSA41.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butyl-5-methylimidazo[1,2-a]pyridin-3-yl)propanenitrile?
The IUPAC name of 2-(2-tert-butyl-5-methylimidazo[1,2-a]pyridin-3-yl)propanenitrile (CID 82029967) is 2-(2-tert-butyl-5-methylimidazo[1,2-a]pyridin-3-yl)propanenitrile.
What is the SMILES notation for 2-(2-tert-butyl-5-methylimidazo[1,2-a]pyridin-3-yl)propanenitrile?
The canonical SMILES for 2-(2-tert-butyl-5-methylimidazo[1,2-a]pyridin-3-yl)propanenitrile is Cc1cccc2nc(C(C)(C)C)c(C(C)C#N)n12.
What is the InChIKey of 2-(2-tert-butyl-5-methylimidazo[1,2-a]pyridin-3-yl)propanenitrile?
The InChIKey is JRZBISOEYGXSJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-10(9-16)13-14(15(3,4)5)17-12-8-6-7-11(2)18(12)13/h6-8,10H,1-5H3.
What are the key properties of 2-(2-tert-butyl-5-methylimidazo[1,2-a]pyridin-3-yl)propanenitrile?
2-(2-tert-butyl-5-methylimidazo[1,2-a]pyridin-3-yl)propanenitrile has a molecular weight of 241.34 g/mol, XLogP of 3.57, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butyl-5-methylimidazo[1,2-a]pyridin-3-yl)propanenitrile is sourced from PubChem (CID 82029967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).