2-methyl-3-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-morpholin-4-ylpropanenitrile

C16H20N4O — CID 84751913

IUPAC2-methyl-3-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-morpholin-4-ylpropanenitrile
SMILESCc1nc2ccccn2c1CC(C)(C#N)N1CCOCC1
InChIInChI=1S/C16H20N4O/c1-13-14(20-6-4-3-5-15(20)18-13)11-16(2,12-17)19-7-9-21-10-8-19/h3-6H,7-11H2,1-2H3
InChIKeyVRYOMHMCSBSCBI-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.80
Rot. Bonds3

About 2-methyl-3-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-morpholin-4-ylpropanenitrile

2-methyl-3-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-morpholin-4-ylpropanenitrile (PubChem CID 84751913) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-methyl-3-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-morpholin-4-ylpropanenitrile.

Molecular Properties

Compound Name2-methyl-3-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-morpholin-4-ylpropanenitrile
PubChem CID84751913
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name2-methyl-3-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-morpholin-4-ylpropanenitrile
SMILESCc1nc2ccccn2c1CC(C)(C#N)N1CCOCC1
InChIInChI=1S/C16H20N4O/c1-13-14(20-6-4-3-5-15(20)18-13)11-16(2,12-17)19-7-9-21-10-8-19/h3-6H,7-11H2,1-2H3
InChIKeyVRYOMHMCSBSCBI-UHFFFAOYSA-N
XLogP1.80
TPSA53.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-morpholin-4-ylpropanenitrile?
The IUPAC name of 2-methyl-3-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-morpholin-4-ylpropanenitrile (CID 84751913) is 2-methyl-3-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-morpholin-4-ylpropanenitrile.
What is the SMILES notation for 2-methyl-3-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-morpholin-4-ylpropanenitrile?
The canonical SMILES for 2-methyl-3-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-morpholin-4-ylpropanenitrile is Cc1nc2ccccn2c1CC(C)(C#N)N1CCOCC1.
What is the InChIKey of 2-methyl-3-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-morpholin-4-ylpropanenitrile?
The InChIKey is VRYOMHMCSBSCBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-13-14(20-6-4-3-5-15(20)18-13)11-16(2,12-17)19-7-9-21-10-8-19/h3-6H,7-11H2,1-2H3.
What are the key properties of 2-methyl-3-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-morpholin-4-ylpropanenitrile?
2-methyl-3-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-morpholin-4-ylpropanenitrile has a molecular weight of 284.36 g/mol, XLogP of 1.80, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-morpholin-4-ylpropanenitrile is sourced from PubChem (CID 84751913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).