3-[8-morpholin-4-yl-3-[4-(sulfonylmethyl)piperazin-1-yl]imidazo[1,2-a]pyrazin-6-yl]phenol

C21H24N6O4S — CID 87172983

IUPAC3-[8-morpholin-4-yl-3-[4-(sulfonylmethyl)piperazin-1-yl]imidazo[1,2-a]pyrazin-6-yl]phenol
SMILESO=S(=O)=CN1CCN(c2cnc3c(N4CCOCC4)nc(-c4cccc(O)c4)cn23)CC1
InChIInChI=1S/C21H24N6O4S/c28-17-3-1-2-16(12-17)18-14-27-19(25-6-4-24(5-7-25)15-32(29)30)13-22-20(27)21(23-18)26-8-10-31-11-9-26/h1-3,12-15,28H,4-11H2
InChIKeyGORBPSVZEBYHOU-UHFFFAOYSA-N
MW456.53 g/mol
LogP0.70
Rot. Bonds4

About 3-[8-morpholin-4-yl-3-[4-(sulfonylmethyl)piperazin-1-yl]imidazo[1,2-a]pyrazin-6-yl]phenol

3-[8-morpholin-4-yl-3-[4-(sulfonylmethyl)piperazin-1-yl]imidazo[1,2-a]pyrazin-6-yl]phenol (PubChem CID 87172983) has the molecular formula C21H24N6O4S and a molecular weight of 456.53 g/mol. Its IUPAC name is 3-[8-morpholin-4-yl-3-[4-(sulfonylmethyl)piperazin-1-yl]imidazo[1,2-a]pyrazin-6-yl]phenol.

Molecular Properties

Compound Name3-[8-morpholin-4-yl-3-[4-(sulfonylmethyl)piperazin-1-yl]imidazo[1,2-a]pyrazin-6-yl]phenol
PubChem CID87172983
Molecular FormulaC21H24N6O4S
Molecular Weight456.53 g/mol
Exact Mass456.16
IUPAC Name3-[8-morpholin-4-yl-3-[4-(sulfonylmethyl)piperazin-1-yl]imidazo[1,2-a]pyrazin-6-yl]phenol
SMILESO=S(=O)=CN1CCN(c2cnc3c(N4CCOCC4)nc(-c4cccc(O)c4)cn23)CC1
InChIInChI=1S/C21H24N6O4S/c28-17-3-1-2-16(12-17)18-14-27-19(25-6-4-24(5-7-25)15-32(29)30)13-22-20(27)21(23-18)26-8-10-31-11-9-26/h1-3,12-15,28H,4-11H2
InChIKeyGORBPSVZEBYHOU-UHFFFAOYSA-N
XLogP0.70
TPSA103.51 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.53
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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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-(3-methyl-6-phenylimidazo[1,2-a]pyrazin-8-yl)morpholine
CID 90084217
4-[[6-(3-hydroxyphenyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl]methyl]piperazine-1-carboxylic acid
CID 90067954
3-(8-morpholin-4-ylimidazo[1,5-a]pyrazin-6-yl)phenol
CID 53353950
3-[2-(hydroxymethyl)-4-morpholin-4-ylpyrazolo[1,5-a]pyrazin-6-yl]phenol
CID 53353946
3-[4-(4-methylpiperazin-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]phenol
CID 123635804
4-[6-(3-methoxyphenyl)-2,3-dimethylimidazo[1,2-a]pyrazin-8-yl]morpholine
CID 135292557
3-[8-(azepan-1-yl)-2-cyclopropylimidazo[1,2-a]pyrazin-6-yl]phenol
CID 163767025
3-(7-morpholin-4-yl-2H-triazolo[4,5-d]pyrimidin-5-yl)phenol
CID 173099726
3-(8-morpholin-4-yl-[1,2,4]triazolo[3,4-f][1,2,4]triazin-6-yl)phenol
CID 118213801
3-(2-morpholin-4-ylphenyl)phenol
CID 173316588
3-[4-morpholin-4-yl-7-(morpholin-4-ylmethyl)-1,6-naphthyridin-2-yl]phenol
CID 90038512

Frequently Asked Questions

What is the IUPAC name of 3-[8-morpholin-4-yl-3-[4-(sulfonylmethyl)piperazin-1-yl]imidazo[1,2-a]pyrazin-6-yl]phenol?
The IUPAC name of 3-[8-morpholin-4-yl-3-[4-(sulfonylmethyl)piperazin-1-yl]imidazo[1,2-a]pyrazin-6-yl]phenol (CID 87172983) is 3-[8-morpholin-4-yl-3-[4-(sulfonylmethyl)piperazin-1-yl]imidazo[1,2-a]pyrazin-6-yl]phenol.
What is the SMILES notation for 3-[8-morpholin-4-yl-3-[4-(sulfonylmethyl)piperazin-1-yl]imidazo[1,2-a]pyrazin-6-yl]phenol?
The canonical SMILES for 3-[8-morpholin-4-yl-3-[4-(sulfonylmethyl)piperazin-1-yl]imidazo[1,2-a]pyrazin-6-yl]phenol is O=S(=O)=CN1CCN(c2cnc3c(N4CCOCC4)nc(-c4cccc(O)c4)cn23)CC1.
What is the InChIKey of 3-[8-morpholin-4-yl-3-[4-(sulfonylmethyl)piperazin-1-yl]imidazo[1,2-a]pyrazin-6-yl]phenol?
The InChIKey is GORBPSVZEBYHOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O4S/c28-17-3-1-2-16(12-17)18-14-27-19(25-6-4-24(5-7-25)15-32(29)30)13-22-20(27)21(23-18)26-8-10-31-11-9-26/h1-3,12-15,28H,4-11H2.
What are the key properties of 3-[8-morpholin-4-yl-3-[4-(sulfonylmethyl)piperazin-1-yl]imidazo[1,2-a]pyrazin-6-yl]phenol?
3-[8-morpholin-4-yl-3-[4-(sulfonylmethyl)piperazin-1-yl]imidazo[1,2-a]pyrazin-6-yl]phenol has a molecular weight of 456.53 g/mol, XLogP of 0.70, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[8-morpholin-4-yl-3-[4-(sulfonylmethyl)piperazin-1-yl]imidazo[1,2-a]pyrazin-6-yl]phenol is sourced from PubChem (CID 87172983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).