5-(6-chloroimidazo[1,2-a]pyridin-2-yl)-3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazole

C16H18ClN5O — CID 56709722

IUPAC5-(6-chloroimidazo[1,2-a]pyridin-2-yl)-3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazole
SMILESCN1CCC(Cc2noc(-c3cn4cc(Cl)ccc4n3)n2)CC1
InChIInChI=1S/C16H18ClN5O/c1-21-6-4-11(5-7-21)8-14-19-16(23-20-14)13-10-22-9-12(17)2-3-15(22)18-13/h2-3,9-11H,4-8H2,1H3
InChIKeyWYPQPLIQABHFSI-UHFFFAOYSA-N
MW331.81 g/mol
LogP2.92
Rot. Bonds3

About 5-(6-chloroimidazo[1,2-a]pyridin-2-yl)-3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazole

5-(6-chloroimidazo[1,2-a]pyridin-2-yl)-3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazole (PubChem CID 56709722) has the molecular formula C16H18ClN5O and a molecular weight of 331.81 g/mol. Its IUPAC name is 5-(6-chloroimidazo[1,2-a]pyridin-2-yl)-3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(6-chloroimidazo[1,2-a]pyridin-2-yl)-3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazole
PubChem CID56709722
Molecular FormulaC16H18ClN5O
Molecular Weight331.81 g/mol
Exact Mass331.12
IUPAC Name5-(6-chloroimidazo[1,2-a]pyridin-2-yl)-3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazole
SMILESCN1CCC(Cc2noc(-c3cn4cc(Cl)ccc4n3)n2)CC1
InChIInChI=1S/C16H18ClN5O/c1-21-6-4-11(5-7-21)8-14-19-16(23-20-14)13-10-22-9-12(17)2-3-15(22)18-13/h2-3,9-11H,4-8H2,1H3
InChIKeyWYPQPLIQABHFSI-UHFFFAOYSA-N
XLogP2.92
TPSA59.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.81
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-(6-chloroimidazo[1,2-a]pyridin-2-yl)-3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazole with MolForge

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Related Compounds

5-[1-[(3-chlorophenyl)methyl]triazol-4-yl]-3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazole
CID 56918634
(5R)-1-[(4-chlorophenyl)methyl]-5-[3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]piperidin-2-one
CID 97133541
5-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)triazol-4-yl]-3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazole
CID 56896490
5-(3,5-dimethyl-1-benzofuran-2-yl)-3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazole
CID 70706677
3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazole-5-carbaldehyde
CID 115080068
3-[2-[(4-chlorophenyl)methyl]-5-[(1-methylpiperidin-4-yl)methyl]-1,2,4-triazol-3-yl]-1,2-oxazole
CID 72848906
3-[(1-methylpiperidin-4-yl)methyl]-5-(3,6,7-trimethyl-1-benzofuran-2-yl)-1,2,4-oxadiazole
CID 70730859
6-chloro-2-cyclopropylimidazo[1,2-a]pyridine
CID 915895
6-chloro-2-(oxolan-3-ylmethyl)imidazo[1,2-a]pyridine
CID 117129074
3-[(1-methylpiperidin-4-yl)methyl]-5-(3-pyrazol-1-ylphenyl)-1,2,4-oxadiazole
CID 56708461
6-chloro-2-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine
CID 115403826
6-methyl-2-[(1-methylpyrrolidin-3-yl)methyl]imidazo[1,2-a]pyridine
CID 117129102

Frequently Asked Questions

What is the IUPAC name of 5-(6-chloroimidazo[1,2-a]pyridin-2-yl)-3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazole?
The IUPAC name of 5-(6-chloroimidazo[1,2-a]pyridin-2-yl)-3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazole (CID 56709722) is 5-(6-chloroimidazo[1,2-a]pyridin-2-yl)-3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(6-chloroimidazo[1,2-a]pyridin-2-yl)-3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(6-chloroimidazo[1,2-a]pyridin-2-yl)-3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazole is CN1CCC(Cc2noc(-c3cn4cc(Cl)ccc4n3)n2)CC1.
What is the InChIKey of 5-(6-chloroimidazo[1,2-a]pyridin-2-yl)-3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazole?
The InChIKey is WYPQPLIQABHFSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN5O/c1-21-6-4-11(5-7-21)8-14-19-16(23-20-14)13-10-22-9-12(17)2-3-15(22)18-13/h2-3,9-11H,4-8H2,1H3.
What are the key properties of 5-(6-chloroimidazo[1,2-a]pyridin-2-yl)-3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazole?
5-(6-chloroimidazo[1,2-a]pyridin-2-yl)-3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazole has a molecular weight of 331.81 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-chloroimidazo[1,2-a]pyridin-2-yl)-3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 56709722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).