5-[[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]methyl]pyrrolidin-2-one

C11H12BrN5O — CID 79946656

IUPAC5-[[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]methyl]pyrrolidin-2-one
SMILESO=C1CCC(CNc2nc(Br)cn3ccnc23)N1
InChIInChI=1S/C11H12BrN5O/c12-8-6-17-4-3-13-11(17)10(16-8)14-5-7-1-2-9(18)15-7/h3-4,6-7H,1-2,5H2,(H,14,16)(H,15,18)
InChIKeyYOCOMOUWIRBECK-UHFFFAOYSA-N
MW310.16 g/mol
LogP1.18
Rot. Bonds3

About 5-[[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]methyl]pyrrolidin-2-one

5-[[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]methyl]pyrrolidin-2-one (PubChem CID 79946656) has the molecular formula C11H12BrN5O and a molecular weight of 310.16 g/mol. Its IUPAC name is 5-[[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]methyl]pyrrolidin-2-one
PubChem CID79946656
Molecular FormulaC11H12BrN5O
Molecular Weight310.16 g/mol
Exact Mass309.02
IUPAC Name5-[[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]methyl]pyrrolidin-2-one
SMILESO=C1CCC(CNc2nc(Br)cn3ccnc23)N1
InChIInChI=1S/C11H12BrN5O/c12-8-6-17-4-3-13-11(17)10(16-8)14-5-7-1-2-9(18)15-7/h3-4,6-7H,1-2,5H2,(H,14,16)(H,15,18)
InChIKeyYOCOMOUWIRBECK-UHFFFAOYSA-N
XLogP1.18
TPSA71.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.16
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]methyl]pyrrolidin-2-one?
The IUPAC name of 5-[[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]methyl]pyrrolidin-2-one (CID 79946656) is 5-[[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]methyl]pyrrolidin-2-one.
What is the SMILES notation for 5-[[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]methyl]pyrrolidin-2-one?
The canonical SMILES for 5-[[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]methyl]pyrrolidin-2-one is O=C1CCC(CNc2nc(Br)cn3ccnc23)N1.
What is the InChIKey of 5-[[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]methyl]pyrrolidin-2-one?
The InChIKey is YOCOMOUWIRBECK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN5O/c12-8-6-17-4-3-13-11(17)10(16-8)14-5-7-1-2-9(18)15-7/h3-4,6-7H,1-2,5H2,(H,14,16)(H,15,18).
What are the key properties of 5-[[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]methyl]pyrrolidin-2-one?
5-[[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]methyl]pyrrolidin-2-one has a molecular weight of 310.16 g/mol, XLogP of 1.18, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]methyl]pyrrolidin-2-one is sourced from PubChem (CID 79946656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).