4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]piperazin-2-one

C12H13ClN4O — CID 22107793

IUPAC4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]piperazin-2-one
SMILESO=C1CN(Cc2cn3cc(Cl)ccc3n2)CCN1
InChIInChI=1S/C12H13ClN4O/c13-9-1-2-11-15-10(7-17(11)5-9)6-16-4-3-14-12(18)8-16/h1-2,5,7H,3-4,6,8H2,(H,14,18)
InChIKeyIFZLRXSYVYXNAB-UHFFFAOYSA-N
MW264.72 g/mol
LogP0.92
Rot. Bonds2

About 4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]piperazin-2-one

4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]piperazin-2-one (PubChem CID 22107793) has the molecular formula C12H13ClN4O and a molecular weight of 264.72 g/mol. Its IUPAC name is 4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]piperazin-2-one.

Molecular Properties

Compound Name4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]piperazin-2-one
PubChem CID22107793
Molecular FormulaC12H13ClN4O
Molecular Weight264.72 g/mol
Exact Mass264.08
IUPAC Name4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]piperazin-2-one
SMILESO=C1CN(Cc2cn3cc(Cl)ccc3n2)CCN1
InChIInChI=1S/C12H13ClN4O/c13-9-1-2-11-15-10(7-17(11)5-9)6-16-4-3-14-12(18)8-16/h1-2,5,7H,3-4,6,8H2,(H,14,18)
InChIKeyIFZLRXSYVYXNAB-UHFFFAOYSA-N
XLogP0.92
TPSA49.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.72
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]piperazin-2-one?
The IUPAC name of 4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]piperazin-2-one (CID 22107793) is 4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]piperazin-2-one.
What is the SMILES notation for 4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]piperazin-2-one?
The canonical SMILES for 4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]piperazin-2-one is O=C1CN(Cc2cn3cc(Cl)ccc3n2)CCN1.
What is the InChIKey of 4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]piperazin-2-one?
The InChIKey is IFZLRXSYVYXNAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4O/c13-9-1-2-11-15-10(7-17(11)5-9)6-16-4-3-14-12(18)8-16/h1-2,5,7H,3-4,6,8H2,(H,14,18).
What are the key properties of 4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]piperazin-2-one?
4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]piperazin-2-one has a molecular weight of 264.72 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]piperazin-2-one is sourced from PubChem (CID 22107793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).