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

C21H24N6O3 — CID 57391331

IUPAC4-[[6-(3-hydroxyphenyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl]methyl]piperazin-2-one
SMILESO=C1CN(Cc2cn3cc(-c4cccc(O)c4)nc(N4CCOCC4)c3n2)CCN1
InChIInChI=1S/C21H24N6O3/c28-17-3-1-2-15(10-17)18-13-27-12-16(11-25-5-4-22-19(29)14-25)23-20(27)21(24-18)26-6-8-30-9-7-26/h1-3,10,12-13,28H,4-9,11,14H2,(H,22,29)
InChIKeyJZHNJUGETBHFEO-UHFFFAOYSA-N
MW408.46 g/mol
LogP0.87
Rot. Bonds4

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

4-[[6-(3-hydroxyphenyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl]methyl]piperazin-2-one (PubChem CID 57391331) has the molecular formula C21H24N6O3 and a molecular weight of 408.46 g/mol. Its IUPAC name is 4-[[6-(3-hydroxyphenyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl]methyl]piperazin-2-one.

Molecular Properties

Compound Name4-[[6-(3-hydroxyphenyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl]methyl]piperazin-2-one
PubChem CID57391331
Molecular FormulaC21H24N6O3
Molecular Weight408.46 g/mol
Exact Mass408.19
IUPAC Name4-[[6-(3-hydroxyphenyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl]methyl]piperazin-2-one
SMILESO=C1CN(Cc2cn3cc(-c4cccc(O)c4)nc(N4CCOCC4)c3n2)CCN1
InChIInChI=1S/C21H24N6O3/c28-17-3-1-2-15(10-17)18-13-27-12-16(11-25-5-4-22-19(29)14-25)23-20(27)21(24-18)26-6-8-30-9-7-26/h1-3,10,12-13,28H,4-9,11,14H2,(H,22,29)
InChIKeyJZHNJUGETBHFEO-UHFFFAOYSA-N
XLogP0.87
TPSA95.23 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[[6-(3-hydroxyphenyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl]methyl]piperazin-2-one?
The IUPAC name of 4-[[6-(3-hydroxyphenyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl]methyl]piperazin-2-one (CID 57391331) is 4-[[6-(3-hydroxyphenyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl]methyl]piperazin-2-one.
What is the SMILES notation for 4-[[6-(3-hydroxyphenyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl]methyl]piperazin-2-one?
The canonical SMILES for 4-[[6-(3-hydroxyphenyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl]methyl]piperazin-2-one is O=C1CN(Cc2cn3cc(-c4cccc(O)c4)nc(N4CCOCC4)c3n2)CCN1.
What is the InChIKey of 4-[[6-(3-hydroxyphenyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl]methyl]piperazin-2-one?
The InChIKey is JZHNJUGETBHFEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O3/c28-17-3-1-2-15(10-17)18-13-27-12-16(11-25-5-4-22-19(29)14-25)23-20(27)21(24-18)26-6-8-30-9-7-26/h1-3,10,12-13,28H,4-9,11,14H2,(H,22,29).
What are the key properties of 4-[[6-(3-hydroxyphenyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl]methyl]piperazin-2-one?
4-[[6-(3-hydroxyphenyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl]methyl]piperazin-2-one has a molecular weight of 408.46 g/mol, XLogP of 0.87, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-(3-hydroxyphenyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl]methyl]piperazin-2-one is sourced from PubChem (CID 57391331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).