8-benzyl-6-(3-hydroxyphenyl)-2-[[5-(trifluoromethyl)furan-2-yl]methyl]imidazo[1,2-a]pyrazin-3-ol;8-benzyl-6-(3-methylphenyl)-2-[[5-(trifluoromethyl)furan-2-yl]methyl]imidazo[1,2-a]pyrazin-3-ol;ethane;hydrochloride

C59H63ClF6N6O5 — CID 160578391

IUPAC8-benzyl-6-(3-hydroxyphenyl)-2-[[5-(trifluoromethyl)furan-2-yl]methyl]imidazo[1,2-a]pyrazin-3-ol;8-benzyl-6-(3-methylphenyl)-2-[[5-(trifluoromethyl)furan-2-yl]methyl]imidazo[1,2-a]pyrazin-3-ol;ethane;hydrochloride
SMILESCC.CC.CC.CC.Cc1cccc(-c2cn3c(O)c(Cc4ccc(C(F)(F)F)o4)nc3c(Cc3ccccc3)n2)c1.Cl.Oc1cccc(-c2cn3c(O)c(Cc4ccc(C(F)(F)F)o4)nc3c(Cc3ccccc3)n2)c1
InChIInChI=1S/C26H20F3N3O2.C25H18F3N3O3.4C2H6.ClH/c1-16-6-5-9-18(12-16)22-15-32-24(20(30-22)13-17-7-3-2-4-8-17)31-21(25(32)33)14-19-10-11-23(34-19)26(27,28)29;26-25(27,28)22-10-9-18(34-22)13-20-24(33)31-14-21(16-7-4-8-17(32)12-16)29-19(23(31)30-20)11-15-5-2-1-3-6-15;4*1-2;/h2-12,15,33H,13-14H2,1H3;1-10,12,14,32-33H,11,13H2;4*1-2H3;1H
InChIKeyJEDDYZUXGWPXQO-UHFFFAOYSA-N
MW1085.63 g/mol
LogP16.33
Rot. Bonds10

About 8-benzyl-6-(3-hydroxyphenyl)-2-[[5-(trifluoromethyl)furan-2-yl]methyl]imidazo[1,2-a]pyrazin-3-ol;8-benzyl-6-(3-methylphenyl)-2-[[5-(trifluoromethyl)furan-2-yl]methyl]imidazo[1,2-a]pyrazin-3-ol;ethane;hydrochloride

8-benzyl-6-(3-hydroxyphenyl)-2-[[5-(trifluoromethyl)furan-2-yl]methyl]imidazo[1,2-a]pyrazin-3-ol;8-benzyl-6-(3-methylphenyl)-2-[[5-(trifluoromethyl)furan-2-yl]methyl]imidazo[1,2-a]pyrazin-3-ol;ethane;hydrochloride (PubChem CID 160578391) has the molecular formula C59H63ClF6N6O5 and a molecular weight of 1085.63 g/mol. Its IUPAC name is 8-benzyl-6-(3-hydroxyphenyl)-2-[[5-(trifluoromethyl)furan-2-yl]methyl]imidazo[1,2-a]pyrazin-3-ol;8-benzyl-6-(3-methylphenyl)-2-[[5-(trifluoromethyl)furan-2-yl]methyl]imidazo[1,2-a]pyrazin-3-ol;ethane;hydrochloride.

Molecular Properties

Compound Name8-benzyl-6-(3-hydroxyphenyl)-2-[[5-(trifluoromethyl)furan-2-yl]methyl]imidazo[1,2-a]pyrazin-3-ol;8-benzyl-6-(3-methylphenyl)-2-[[5-(trifluoromethyl)furan-2-yl]methyl]imidazo[1,2-a]pyrazin-3-ol;ethane;hydrochloride
PubChem CID160578391
Molecular FormulaC59H63ClF6N6O5
Molecular Weight1085.63 g/mol
Exact Mass1084.45
IUPAC Name8-benzyl-6-(3-hydroxyphenyl)-2-[[5-(trifluoromethyl)furan-2-yl]methyl]imidazo[1,2-a]pyrazin-3-ol;8-benzyl-6-(3-methylphenyl)-2-[[5-(trifluoromethyl)furan-2-yl]methyl]imidazo[1,2-a]pyrazin-3-ol;ethane;hydrochloride
SMILESCC.CC.CC.CC.Cc1cccc(-c2cn3c(O)c(Cc4ccc(C(F)(F)F)o4)nc3c(Cc3ccccc3)n2)c1.Cl.Oc1cccc(-c2cn3c(O)c(Cc4ccc(C(F)(F)F)o4)nc3c(Cc3ccccc3)n2)c1
InChIInChI=1S/C26H20F3N3O2.C25H18F3N3O3.4C2H6.ClH/c1-16-6-5-9-18(12-16)22-15-32-24(20(30-22)13-17-7-3-2-4-8-17)31-21(25(32)33)14-19-10-11-23(34-19)26(27,28)29;26-25(27,28)22-10-9-18(34-22)13-20-24(33)31-14-21(16-7-4-8-17(32)12-16)29-19(23(31)30-20)11-15-5-2-1-3-6-15;4*1-2;/h2-12,15,33H,13-14H2,1H3;1-10,12,14,32-33H,11,13H2;4*1-2H3;1H
InChIKeyJEDDYZUXGWPXQO-UHFFFAOYSA-N
XLogP16.33
TPSA147.35 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms77
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001085.63
LogP ≤ 516.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Analyze 8-benzyl-6-(3-hydroxyphenyl)-2-[[5-(trifluoromethyl)furan-2-yl]methyl]imidazo[1,2-a]pyrazin-3-ol;8-benzyl-6-(3-methylphenyl)-2-[[5-(trifluoromethyl)furan-2-yl]methyl]imidazo[1,2-a]pyrazin-3-ol;ethane;hydrochloride with MolForge

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Related Compounds

8-benzyl-2-[(furan-2-yl)methyl]-6-phenyl-3H,7H-imidazo[1,2-a]pyrazin-3-one
CID 136008305
Hydrofurimazine
CID 137285375
8-benzyl-6-(2-fluorophenyl)-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3(7H)-one
CID 137314688
NanoLuc substrate 1
CID 146404021
8-Benzyl-6-(3-((t-butyldimethylsilyl)oxy)-2-fluorophenyl)-2-(furan-2-ylmethyl)imidazo(1,2-a)pyrazin-3(7h)-one
CID 146673720
6-(2,3-difluorophenyl)-8-(2-fluorobenzyl)-2-((5-methylfuran-2-yl)methyl)imidazo[1,2-a]pyrazin-3(7H)-one
CID 166607090
8-benzyl-6-(3-fluorophenyl)-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3(7H)-one
CID 166607091
Cephalofurimazine
CID 166607092
8-(2-fluorobenzyl)-6-(3-fluorophenyl)-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3(7H)-one
CID 166607093
8-(2-fluorobenzyl)-6-(2-fluorophenyl)-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3(7H)-one
CID 166607094
6-(2,3-difluorophenyl)-8-(2-fluorobenzyl)-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3(7H)-one
CID 166607095
8-benzyl-6-(2,3-difluorophenyl)-2-((5-methylfuran-2-yl)methyl)imidazo[1,2-a]pyrazin-3(7H)-one
CID 166607096

Frequently Asked Questions

What is the IUPAC name of 8-benzyl-6-(3-hydroxyphenyl)-2-[[5-(trifluoromethyl)furan-2-yl]methyl]imidazo[1,2-a]pyrazin-3-ol;8-benzyl-6-(3-methylphenyl)-2-[[5-(trifluoromethyl)furan-2-yl]methyl]imidazo[1,2-a]pyrazin-3-ol;ethane;hydrochloride?
The IUPAC name of 8-benzyl-6-(3-hydroxyphenyl)-2-[[5-(trifluoromethyl)furan-2-yl]methyl]imidazo[1,2-a]pyrazin-3-ol;8-benzyl-6-(3-methylphenyl)-2-[[5-(trifluoromethyl)furan-2-yl]methyl]imidazo[1,2-a]pyrazin-3-ol;ethane;hydrochloride (CID 160578391) is 8-benzyl-6-(3-hydroxyphenyl)-2-[[5-(trifluoromethyl)furan-2-yl]methyl]imidazo[1,2-a]pyrazin-3-ol;8-benzyl-6-(3-methylphenyl)-2-[[5-(trifluoromethyl)furan-2-yl]methyl]imidazo[1,2-a]pyrazin-3-ol;ethane;hydrochloride.
What is the SMILES notation for 8-benzyl-6-(3-hydroxyphenyl)-2-[[5-(trifluoromethyl)furan-2-yl]methyl]imidazo[1,2-a]pyrazin-3-ol;8-benzyl-6-(3-methylphenyl)-2-[[5-(trifluoromethyl)furan-2-yl]methyl]imidazo[1,2-a]pyrazin-3-ol;ethane;hydrochloride?
The canonical SMILES for 8-benzyl-6-(3-hydroxyphenyl)-2-[[5-(trifluoromethyl)furan-2-yl]methyl]imidazo[1,2-a]pyrazin-3-ol;8-benzyl-6-(3-methylphenyl)-2-[[5-(trifluoromethyl)furan-2-yl]methyl]imidazo[1,2-a]pyrazin-3-ol;ethane;hydrochloride is CC.CC.CC.CC.Cc1cccc(-c2cn3c(O)c(Cc4ccc(C(F)(F)F)o4)nc3c(Cc3ccccc3)n2)c1.Cl.Oc1cccc(-c2cn3c(O)c(Cc4ccc(C(F)(F)F)o4)nc3c(Cc3ccccc3)n2)c1.
What is the InChIKey of 8-benzyl-6-(3-hydroxyphenyl)-2-[[5-(trifluoromethyl)furan-2-yl]methyl]imidazo[1,2-a]pyrazin-3-ol;8-benzyl-6-(3-methylphenyl)-2-[[5-(trifluoromethyl)furan-2-yl]methyl]imidazo[1,2-a]pyrazin-3-ol;ethane;hydrochloride?
The InChIKey is JEDDYZUXGWPXQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20F3N3O2.C25H18F3N3O3.4C2H6.ClH/c1-16-6-5-9-18(12-16)22-15-32-24(20(30-22)13-17-7-3-2-4-8-17)31-21(25(32)33)14-19-10-11-23(34-19)26(27,28)29;26-25(27,28)22-10-9-18(34-22)13-20-24(33)31-14-21(16-7-4-8-17(32)12-16)29-19(23(31)30-20)11-15-5-2-1-3-6-15;4*1-2;/h2-12,15,33H,13-14H2,1H3;1-10,12,14,32-33H,11,13H2;4*1-2H3;1H.
What are the key properties of 8-benzyl-6-(3-hydroxyphenyl)-2-[[5-(trifluoromethyl)furan-2-yl]methyl]imidazo[1,2-a]pyrazin-3-ol;8-benzyl-6-(3-methylphenyl)-2-[[5-(trifluoromethyl)furan-2-yl]methyl]imidazo[1,2-a]pyrazin-3-ol;ethane;hydrochloride?
8-benzyl-6-(3-hydroxyphenyl)-2-[[5-(trifluoromethyl)furan-2-yl]methyl]imidazo[1,2-a]pyrazin-3-ol;8-benzyl-6-(3-methylphenyl)-2-[[5-(trifluoromethyl)furan-2-yl]methyl]imidazo[1,2-a]pyrazin-3-ol;ethane;hydrochloride has a molecular weight of 1085.63 g/mol, XLogP of 16.33, 10 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 8-benzyl-6-(3-hydroxyphenyl)-2-[[5-(trifluoromethyl)furan-2-yl]methyl]imidazo[1,2-a]pyrazin-3-ol;8-benzyl-6-(3-methylphenyl)-2-[[5-(trifluoromethyl)furan-2-yl]methyl]imidazo[1,2-a]pyrazin-3-ol;ethane;hydrochloride is sourced from PubChem (CID 160578391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).