1-[4-[[6-(3-hydroxyphenyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl]methyl]piperazin-1-yl]ethanone

C23H28N6O3 — CID 57398381

IUPAC1-[4-[[6-(3-hydroxyphenyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl]methyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(Cc2cn3cc(-c4cccc(O)c4)nc(N4CCOCC4)c3n2)CC1
InChIInChI=1S/C23H28N6O3/c1-17(30)27-7-5-26(6-8-27)14-19-15-29-16-21(18-3-2-4-20(31)13-18)25-23(22(29)24-19)28-9-11-32-12-10-28/h2-4,13,15-16,31H,5-12,14H2,1H3
InChIKeyHQSUDCCNUKPXGF-UHFFFAOYSA-N
MW436.52 g/mol
LogP1.60
Rot. Bonds4

About 1-[4-[[6-(3-hydroxyphenyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl]methyl]piperazin-1-yl]ethanone

1-[4-[[6-(3-hydroxyphenyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl]methyl]piperazin-1-yl]ethanone (PubChem CID 57398381) has the molecular formula C23H28N6O3 and a molecular weight of 436.52 g/mol. Its IUPAC name is 1-[4-[[6-(3-hydroxyphenyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl]methyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[[6-(3-hydroxyphenyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl]methyl]piperazin-1-yl]ethanone
PubChem CID57398381
Molecular FormulaC23H28N6O3
Molecular Weight436.52 g/mol
Exact Mass436.22
IUPAC Name1-[4-[[6-(3-hydroxyphenyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl]methyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(Cc2cn3cc(-c4cccc(O)c4)nc(N4CCOCC4)c3n2)CC1
InChIInChI=1S/C23H28N6O3/c1-17(30)27-7-5-26(6-8-27)14-19-15-29-16-21(18-3-2-4-20(31)13-18)25-23(22(29)24-19)28-9-11-32-12-10-28/h2-4,13,15-16,31H,5-12,14H2,1H3
InChIKeyHQSUDCCNUKPXGF-UHFFFAOYSA-N
XLogP1.60
TPSA86.44 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.52
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[[6-(3-hydroxyphenyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl]methyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[[6-(3-hydroxyphenyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl]methyl]piperazin-1-yl]ethanone (CID 57398381) is 1-[4-[[6-(3-hydroxyphenyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl]methyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[[6-(3-hydroxyphenyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl]methyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[[6-(3-hydroxyphenyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl]methyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(Cc2cn3cc(-c4cccc(O)c4)nc(N4CCOCC4)c3n2)CC1.
What is the InChIKey of 1-[4-[[6-(3-hydroxyphenyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl]methyl]piperazin-1-yl]ethanone?
The InChIKey is HQSUDCCNUKPXGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O3/c1-17(30)27-7-5-26(6-8-27)14-19-15-29-16-21(18-3-2-4-20(31)13-18)25-23(22(29)24-19)28-9-11-32-12-10-28/h2-4,13,15-16,31H,5-12,14H2,1H3.
What are the key properties of 1-[4-[[6-(3-hydroxyphenyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl]methyl]piperazin-1-yl]ethanone?
1-[4-[[6-(3-hydroxyphenyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl]methyl]piperazin-1-yl]ethanone has a molecular weight of 436.52 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[6-(3-hydroxyphenyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl]methyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 57398381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).