2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]imidazo[1,2-a]pyridine-3-carbonitrile

C14H16N4O — CID 133463527

IUPAC2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]imidazo[1,2-a]pyridine-3-carbonitrile
SMILESC[C@@H]1CN(c2nc3ccccn3c2C#N)C[C@H](C)O1
InChIInChI=1S/C14H16N4O/c1-10-8-17(9-11(2)19-10)14-12(7-15)18-6-4-3-5-13(18)16-14/h3-6,10-11H,8-9H2,1-2H3/t10-,11+
InChIKeyPKTMOYFKHDFBJO-PHIMTYICSA-N
MW256.31 g/mol
LogP1.82
Rot. Bonds1

About 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]imidazo[1,2-a]pyridine-3-carbonitrile

2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]imidazo[1,2-a]pyridine-3-carbonitrile (PubChem CID 133463527) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]imidazo[1,2-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]imidazo[1,2-a]pyridine-3-carbonitrile
PubChem CID133463527
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]imidazo[1,2-a]pyridine-3-carbonitrile
SMILESC[C@@H]1CN(c2nc3ccccn3c2C#N)C[C@H](C)O1
InChIInChI=1S/C14H16N4O/c1-10-8-17(9-11(2)19-10)14-12(7-15)18-6-4-3-5-13(18)16-14/h3-6,10-11H,8-9H2,1-2H3/t10-,11+
InChIKeyPKTMOYFKHDFBJO-PHIMTYICSA-N
XLogP1.82
TPSA53.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]imidazo[1,2-a]pyridine-3-carbonitrile?
The IUPAC name of 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]imidazo[1,2-a]pyridine-3-carbonitrile (CID 133463527) is 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]imidazo[1,2-a]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]imidazo[1,2-a]pyridine-3-carbonitrile?
The canonical SMILES for 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]imidazo[1,2-a]pyridine-3-carbonitrile is C[C@@H]1CN(c2nc3ccccn3c2C#N)C[C@H](C)O1.
What is the InChIKey of 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]imidazo[1,2-a]pyridine-3-carbonitrile?
The InChIKey is PKTMOYFKHDFBJO-PHIMTYICSA-N. The full InChI is InChI=1S/C14H16N4O/c1-10-8-17(9-11(2)19-10)14-12(7-15)18-6-4-3-5-13(18)16-14/h3-6,10-11H,8-9H2,1-2H3/t10-,11+.
What are the key properties of 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]imidazo[1,2-a]pyridine-3-carbonitrile?
2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]imidazo[1,2-a]pyridine-3-carbonitrile has a molecular weight of 256.31 g/mol, XLogP of 1.82, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]imidazo[1,2-a]pyridine-3-carbonitrile is sourced from PubChem (CID 133463527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).