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

C25H17F4N3O3 — CID 146403987

IUPAC8-benzyl-6-(2-fluoro-3-hydroxyphenyl)-2-[[5-(trifluoromethyl)furan-2-yl]methyl]imidazo[1,2-a]pyrazin-3-ol
SMILESOc1cccc(-c2cn3c(O)c(Cc4ccc(C(F)(F)F)o4)nc3c(Cc3ccccc3)n2)c1F
InChIInChI=1S/C25H17F4N3O3/c26-22-16(7-4-8-20(22)33)19-13-32-23(17(30-19)11-14-5-2-1-3-6-14)31-18(24(32)34)12-15-9-10-21(35-15)25(27,28)29/h1-10,13,33-34H,11-12H2
InChIKeyLOEROOLNPVIOLD-UHFFFAOYSA-N
MW483.42 g/mol
LogP5.74
Rot. Bonds5

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

8-benzyl-6-(2-fluoro-3-hydroxyphenyl)-2-[[5-(trifluoromethyl)furan-2-yl]methyl]imidazo[1,2-a]pyrazin-3-ol (PubChem CID 146403987) has the molecular formula C25H17F4N3O3 and a molecular weight of 483.42 g/mol. Its IUPAC name is 8-benzyl-6-(2-fluoro-3-hydroxyphenyl)-2-[[5-(trifluoromethyl)furan-2-yl]methyl]imidazo[1,2-a]pyrazin-3-ol.

Molecular Properties

Compound Name8-benzyl-6-(2-fluoro-3-hydroxyphenyl)-2-[[5-(trifluoromethyl)furan-2-yl]methyl]imidazo[1,2-a]pyrazin-3-ol
PubChem CID146403987
Molecular FormulaC25H17F4N3O3
Molecular Weight483.42 g/mol
Exact Mass483.12
IUPAC Name8-benzyl-6-(2-fluoro-3-hydroxyphenyl)-2-[[5-(trifluoromethyl)furan-2-yl]methyl]imidazo[1,2-a]pyrazin-3-ol
SMILESOc1cccc(-c2cn3c(O)c(Cc4ccc(C(F)(F)F)o4)nc3c(Cc3ccccc3)n2)c1F
InChIInChI=1S/C25H17F4N3O3/c26-22-16(7-4-8-20(22)33)19-13-32-23(17(30-19)11-14-5-2-1-3-6-14)31-18(24(32)34)12-15-9-10-21(35-15)25(27,28)29/h1-10,13,33-34H,11-12H2
InChIKeyLOEROOLNPVIOLD-UHFFFAOYSA-N
XLogP5.74
TPSA83.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.42
LogP ≤ 55.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-ethyl-8-[(3-methoxyphenyl)methoxy]imidazo[1,2-a]pyridin-3-yl]-2-fluoro-N-methylbenzamide
CID 46943153
3-(4-Fluorophenyl)-7-(furan-2-yl)imidazo[1,2-a]pyridine
CID 118733895
3-[6-(2-Furyl)imidazo [1,2-a]pyrazin-3-yl]phenol
CID 126672936
3-[6-(3-Furyl)imidazo[1,2-b]pyridazin-3-yl]phenol
CID 126672948
3-(Imidazo[1,2-a]pyridin-2-ylmethoxy)benzoic acid
CID 7063877
8-benzyl-2-[(furan-2-yl)methyl]-6-phenyl-3H,7H-imidazo[1,2-a]pyrazin-3-one
CID 136008305
6-(3-amino-2-fluorophenyl)-8-((2-fluorophenyl)methyl)-2-((furan-2-yl)methyl)-3H,7H-imidazo(1,2-a)pyrazin-3-one
CID 146403983
N-[2-ethyl-8-[[4-(trifluoromethyl)phenyl]methoxy]imidazo[1,2-a]pyridin-3-yl]-N,4-dimethylbenzamide
CID 46948465
3-[[5-(4-Fluorophenoxy)-3-methylimidazo[4,5-b]pyridin-2-yl]methoxy]benzoic acid
CID 145971719
3-[(E)-{[2-(furan-2-yl)imidazo[1,2-a]pyridin-3-yl]imino}methyl]phenol
CID 9556421
3-({8-Methylimidazo[1,2-A]pyridin-2-YL}methoxy)benzoic acid
CID 16227706
3-[[2-(Furan-2-yl)imidazo[1,2-a]pyridin-3-yl]iminomethyl]phenol
CID 403057

Frequently Asked Questions

What is the IUPAC name of 8-benzyl-6-(2-fluoro-3-hydroxyphenyl)-2-[[5-(trifluoromethyl)furan-2-yl]methyl]imidazo[1,2-a]pyrazin-3-ol?
The IUPAC name of 8-benzyl-6-(2-fluoro-3-hydroxyphenyl)-2-[[5-(trifluoromethyl)furan-2-yl]methyl]imidazo[1,2-a]pyrazin-3-ol (CID 146403987) is 8-benzyl-6-(2-fluoro-3-hydroxyphenyl)-2-[[5-(trifluoromethyl)furan-2-yl]methyl]imidazo[1,2-a]pyrazin-3-ol.
What is the SMILES notation for 8-benzyl-6-(2-fluoro-3-hydroxyphenyl)-2-[[5-(trifluoromethyl)furan-2-yl]methyl]imidazo[1,2-a]pyrazin-3-ol?
The canonical SMILES for 8-benzyl-6-(2-fluoro-3-hydroxyphenyl)-2-[[5-(trifluoromethyl)furan-2-yl]methyl]imidazo[1,2-a]pyrazin-3-ol is Oc1cccc(-c2cn3c(O)c(Cc4ccc(C(F)(F)F)o4)nc3c(Cc3ccccc3)n2)c1F.
What is the InChIKey of 8-benzyl-6-(2-fluoro-3-hydroxyphenyl)-2-[[5-(trifluoromethyl)furan-2-yl]methyl]imidazo[1,2-a]pyrazin-3-ol?
The InChIKey is LOEROOLNPVIOLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17F4N3O3/c26-22-16(7-4-8-20(22)33)19-13-32-23(17(30-19)11-14-5-2-1-3-6-14)31-18(24(32)34)12-15-9-10-21(35-15)25(27,28)29/h1-10,13,33-34H,11-12H2.
What are the key properties of 8-benzyl-6-(2-fluoro-3-hydroxyphenyl)-2-[[5-(trifluoromethyl)furan-2-yl]methyl]imidazo[1,2-a]pyrazin-3-ol?
8-benzyl-6-(2-fluoro-3-hydroxyphenyl)-2-[[5-(trifluoromethyl)furan-2-yl]methyl]imidazo[1,2-a]pyrazin-3-ol has a molecular weight of 483.42 g/mol, XLogP of 5.74, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-benzyl-6-(2-fluoro-3-hydroxyphenyl)-2-[[5-(trifluoromethyl)furan-2-yl]methyl]imidazo[1,2-a]pyrazin-3-ol is sourced from PubChem (CID 146403987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).