4-[[6-(3-hydroxyphenyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl]methyl]piperazine-1-carboxylic acid

C22H26N6O4 — CID 90067954

IUPAC4-[[6-(3-hydroxyphenyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl]methyl]piperazine-1-carboxylic acid
SMILESO=C(O)N1CCN(Cc2cn3cc(-c4cccc(O)c4)nc(N4CCOCC4)c3n2)CC1
InChIInChI=1S/C22H26N6O4/c29-18-3-1-2-16(12-18)19-15-28-14-17(13-25-4-6-27(7-5-25)22(30)31)23-20(28)21(24-19)26-8-10-32-11-9-26/h1-3,12,14-15,29H,4-11,13H2,(H,30,31)
InChIKeyDTDUGSGVRHOEMX-UHFFFAOYSA-N
MW438.49 g/mol
LogP1.73
Rot. Bonds4

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

4-[[6-(3-hydroxyphenyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl]methyl]piperazine-1-carboxylic acid (PubChem CID 90067954) has the molecular formula C22H26N6O4 and a molecular weight of 438.49 g/mol. Its IUPAC name is 4-[[6-(3-hydroxyphenyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl]methyl]piperazine-1-carboxylic acid.

Molecular Properties

Compound Name4-[[6-(3-hydroxyphenyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl]methyl]piperazine-1-carboxylic acid
PubChem CID90067954
Molecular FormulaC22H26N6O4
Molecular Weight438.49 g/mol
Exact Mass438.20
IUPAC Name4-[[6-(3-hydroxyphenyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl]methyl]piperazine-1-carboxylic acid
SMILESO=C(O)N1CCN(Cc2cn3cc(-c4cccc(O)c4)nc(N4CCOCC4)c3n2)CC1
InChIInChI=1S/C22H26N6O4/c29-18-3-1-2-16(12-18)19-15-28-14-17(13-25-4-6-27(7-5-25)22(30)31)23-20(28)21(24-19)26-8-10-32-11-9-26/h1-3,12,14-15,29H,4-11,13H2,(H,30,31)
InChIKeyDTDUGSGVRHOEMX-UHFFFAOYSA-N
XLogP1.73
TPSA106.67 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.49
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-[[6-(3-hydroxyphenyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl]methyl]piperazine-1-carboxylic acid with MolForge

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Related Compounds

3-[8-morpholin-4-yl-2-(morpholin-4-ylmethyl)imidazo[1,2-a]pyrazin-6-yl]phenol
CID 57394839
[4-[[8-morpholin-4-yl-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)imidazo[1,2-a]pyrazin-2-yl]methyl]piperazin-1-yl]methanesulfinic acid
CID 66751450
3-(8-morpholin-4-ylimidazo[1,5-a]pyrazin-6-yl)phenol
CID 53353950
4-[2-[(4-methylsulfonylpiperazin-1-yl)methyl]-6-pyrimidin-5-ylimidazo[1,2-a]pyrazin-8-yl]morpholine
CID 70697346
[4-[[6-(1H-indol-4-yl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl]methyl]piperazin-1-yl]methanesulfinic acid
CID 68762454
3-[2-(hydroxymethyl)-4-morpholin-4-ylpyrazolo[1,5-a]pyrazin-6-yl]phenol
CID 53353946
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CID 87172983
3-[8-(azepan-1-yl)-2-cyclopropylimidazo[1,2-a]pyrazin-6-yl]phenol
CID 163767025
N-[[6-(2-aminopyrimidin-5-yl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl]methyl]benzamide
CID 175883788
3-[4-morpholin-4-yl-7-(morpholin-4-ylmethyl)-1,6-naphthyridin-2-yl]phenol
CID 90038512
4-[2-(3,9-diazaspiro[5.5]undecan-3-ylmethyl)-6-(1H-indazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]morpholine
CID 90067975
4-[6-bromo-2-(piperazin-1-ylmethyl)imidazo[1,2-a]pyrazin-8-yl]morpholine
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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]piperazine-1-carboxylic acid?
The IUPAC name of 4-[[6-(3-hydroxyphenyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl]methyl]piperazine-1-carboxylic acid (CID 90067954) is 4-[[6-(3-hydroxyphenyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl]methyl]piperazine-1-carboxylic acid.
What is the SMILES notation for 4-[[6-(3-hydroxyphenyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl]methyl]piperazine-1-carboxylic acid?
The canonical SMILES for 4-[[6-(3-hydroxyphenyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl]methyl]piperazine-1-carboxylic acid is O=C(O)N1CCN(Cc2cn3cc(-c4cccc(O)c4)nc(N4CCOCC4)c3n2)CC1.
What is the InChIKey of 4-[[6-(3-hydroxyphenyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl]methyl]piperazine-1-carboxylic acid?
The InChIKey is DTDUGSGVRHOEMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O4/c29-18-3-1-2-16(12-18)19-15-28-14-17(13-25-4-6-27(7-5-25)22(30)31)23-20(28)21(24-19)26-8-10-32-11-9-26/h1-3,12,14-15,29H,4-11,13H2,(H,30,31).
What are the key properties of 4-[[6-(3-hydroxyphenyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl]methyl]piperazine-1-carboxylic acid?
4-[[6-(3-hydroxyphenyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl]methyl]piperazine-1-carboxylic acid has a molecular weight of 438.49 g/mol, XLogP of 1.73, 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]piperazine-1-carboxylic acid is sourced from PubChem (CID 90067954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).