N-[(6-bromo-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl)methyl]acetamide

C13H16BrN5O2 — CID 175883938

IUPACN-[(6-bromo-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl)methyl]acetamide
SMILESCC(=O)NCc1cn2cc(Br)nc(N3CCOCC3)c2n1
InChIInChI=1S/C13H16BrN5O2/c1-9(20)15-6-10-7-19-8-11(14)17-13(12(19)16-10)18-2-4-21-5-3-18/h7-8H,2-6H2,1H3,(H,15,20)
InChIKeySJOLOCABRFEHDO-UHFFFAOYSA-N
MW354.21 g/mol
LogP0.96
Rot. Bonds3

About N-[(6-bromo-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl)methyl]acetamide

N-[(6-bromo-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl)methyl]acetamide (PubChem CID 175883938) has the molecular formula C13H16BrN5O2 and a molecular weight of 354.21 g/mol. Its IUPAC name is N-[(6-bromo-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[(6-bromo-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl)methyl]acetamide
PubChem CID175883938
Molecular FormulaC13H16BrN5O2
Molecular Weight354.21 g/mol
Exact Mass353.05
IUPAC NameN-[(6-bromo-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl)methyl]acetamide
SMILESCC(=O)NCc1cn2cc(Br)nc(N3CCOCC3)c2n1
InChIInChI=1S/C13H16BrN5O2/c1-9(20)15-6-10-7-19-8-11(14)17-13(12(19)16-10)18-2-4-21-5-3-18/h7-8H,2-6H2,1H3,(H,15,20)
InChIKeySJOLOCABRFEHDO-UHFFFAOYSA-N
XLogP0.96
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.21
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(6-bromo-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl)methyl]acetamide?
The IUPAC name of N-[(6-bromo-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl)methyl]acetamide (CID 175883938) is N-[(6-bromo-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl)methyl]acetamide.
What is the SMILES notation for N-[(6-bromo-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl)methyl]acetamide?
The canonical SMILES for N-[(6-bromo-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl)methyl]acetamide is CC(=O)NCc1cn2cc(Br)nc(N3CCOCC3)c2n1.
What is the InChIKey of N-[(6-bromo-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl)methyl]acetamide?
The InChIKey is SJOLOCABRFEHDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN5O2/c1-9(20)15-6-10-7-19-8-11(14)17-13(12(19)16-10)18-2-4-21-5-3-18/h7-8H,2-6H2,1H3,(H,15,20).
What are the key properties of N-[(6-bromo-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl)methyl]acetamide?
N-[(6-bromo-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl)methyl]acetamide has a molecular weight of 354.21 g/mol, XLogP of 0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-bromo-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl)methyl]acetamide is sourced from PubChem (CID 175883938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).