2-(3-morpholin-4-ylpropylamino)imidazo[1,2-a]pyridine-3-carbonitrile

C15H19N5O — CID 133462640

IUPAC2-(3-morpholin-4-ylpropylamino)imidazo[1,2-a]pyridine-3-carbonitrile
SMILESN#Cc1c(NCCCN2CCOCC2)nc2ccccn12
InChIInChI=1S/C15H19N5O/c16-12-13-15(18-14-4-1-2-7-20(13)14)17-5-3-6-19-8-10-21-11-9-19/h1-2,4,7,17H,3,5-6,8-11H2
InChIKeyZKZPQPFNFBIULB-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.34
Rot. Bonds5

About 2-(3-morpholin-4-ylpropylamino)imidazo[1,2-a]pyridine-3-carbonitrile

2-(3-morpholin-4-ylpropylamino)imidazo[1,2-a]pyridine-3-carbonitrile (PubChem CID 133462640) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is 2-(3-morpholin-4-ylpropylamino)imidazo[1,2-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(3-morpholin-4-ylpropylamino)imidazo[1,2-a]pyridine-3-carbonitrile
PubChem CID133462640
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name2-(3-morpholin-4-ylpropylamino)imidazo[1,2-a]pyridine-3-carbonitrile
SMILESN#Cc1c(NCCCN2CCOCC2)nc2ccccn12
InChIInChI=1S/C15H19N5O/c16-12-13-15(18-14-4-1-2-7-20(13)14)17-5-3-6-19-8-10-21-11-9-19/h1-2,4,7,17H,3,5-6,8-11H2
InChIKeyZKZPQPFNFBIULB-UHFFFAOYSA-N
XLogP1.34
TPSA65.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-morpholin-4-ylpropylamino)imidazo[1,2-a]pyridine-3-carbonitrile?
The IUPAC name of 2-(3-morpholin-4-ylpropylamino)imidazo[1,2-a]pyridine-3-carbonitrile (CID 133462640) is 2-(3-morpholin-4-ylpropylamino)imidazo[1,2-a]pyridine-3-carbonitrile.
What is the SMILES notation for 2-(3-morpholin-4-ylpropylamino)imidazo[1,2-a]pyridine-3-carbonitrile?
The canonical SMILES for 2-(3-morpholin-4-ylpropylamino)imidazo[1,2-a]pyridine-3-carbonitrile is N#Cc1c(NCCCN2CCOCC2)nc2ccccn12.
What is the InChIKey of 2-(3-morpholin-4-ylpropylamino)imidazo[1,2-a]pyridine-3-carbonitrile?
The InChIKey is ZKZPQPFNFBIULB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c16-12-13-15(18-14-4-1-2-7-20(13)14)17-5-3-6-19-8-10-21-11-9-19/h1-2,4,7,17H,3,5-6,8-11H2.
What are the key properties of 2-(3-morpholin-4-ylpropylamino)imidazo[1,2-a]pyridine-3-carbonitrile?
2-(3-morpholin-4-ylpropylamino)imidazo[1,2-a]pyridine-3-carbonitrile has a molecular weight of 285.35 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-morpholin-4-ylpropylamino)imidazo[1,2-a]pyridine-3-carbonitrile is sourced from PubChem (CID 133462640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).