[2-benzyl-6-phenyl-8-[[3-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyrazin-3-yl] acetate

C29H22F3N3O2 — CID 142461559

IUPAC[2-benzyl-6-phenyl-8-[[3-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyrazin-3-yl] acetate
SMILESCC(=O)Oc1c(Cc2ccccc2)nc2c(Cc3cccc(C(F)(F)F)c3)nc(-c3ccccc3)cn12
InChIInChI=1S/C29H22F3N3O2/c1-19(36)37-28-25(16-20-9-4-2-5-10-20)34-27-24(17-21-11-8-14-23(15-21)29(30,31)32)33-26(18-35(27)28)22-12-6-3-7-13-22/h2-15,18H,16-17H2,1H3
InChIKeyPQKMTSSNYXLBPA-UHFFFAOYSA-N
MW501.51 g/mol
LogP6.52
Rot. Bonds6

About [2-benzyl-6-phenyl-8-[[3-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyrazin-3-yl] acetate

[2-benzyl-6-phenyl-8-[[3-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyrazin-3-yl] acetate (PubChem CID 142461559) has the molecular formula C29H22F3N3O2 and a molecular weight of 501.51 g/mol. Its IUPAC name is [2-benzyl-6-phenyl-8-[[3-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyrazin-3-yl] acetate.

Molecular Properties

Compound Name[2-benzyl-6-phenyl-8-[[3-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyrazin-3-yl] acetate
PubChem CID142461559
Molecular FormulaC29H22F3N3O2
Molecular Weight501.51 g/mol
Exact Mass501.17
IUPAC Name[2-benzyl-6-phenyl-8-[[3-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyrazin-3-yl] acetate
SMILESCC(=O)Oc1c(Cc2ccccc2)nc2c(Cc3cccc(C(F)(F)F)c3)nc(-c3ccccc3)cn12
InChIInChI=1S/C29H22F3N3O2/c1-19(36)37-28-25(16-20-9-4-2-5-10-20)34-27-24(17-21-11-8-14-23(15-21)29(30,31)32)33-26(18-35(27)28)22-12-6-3-7-13-22/h2-15,18H,16-17H2,1H3
InChIKeyPQKMTSSNYXLBPA-UHFFFAOYSA-N
XLogP6.52
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.51
LogP ≤ 56.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[8-benzyl-6-phenyl-2-[[3-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyrazin-3-yl] acetate
CID 135364704
[8-benzyl-6-phenyl-2-[[5-(trifluoromethyl)furan-2-yl]methyl]imidazo[1,2-a]pyrazin-3-yl] acetate
CID 135364458
[8-benzyl-6-phenyl-2-[(4-propan-2-ylphenyl)methyl]imidazo[1,2-a]pyrazin-3-yl] acetate
CID 135364681
[2-benzyl-8-[(2-methylphenyl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-yl] acetate
CID 135364502
[2,8-dibenzyl-6-(3-fluoro-4-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-yl] acetate
CID 135364833
[8-benzyl-2-[(4-ethyl-5-methylfuran-2-yl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-yl] acetate
CID 135368245
[8-[(3-fluorophenyl)methyl]-2-[(3-methoxyphenyl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-yl] acetate;[8-[(3-fluorophenyl)methyl]-2-[(3-methylphenyl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-yl] acetate
CID 135368774
[2,8-dibenzyl-6-(2-methoxyphenyl)imidazo[1,2-a]pyrazin-3-yl] acetate
CID 135364610
[8-benzyl-6-(4-methoxyphenyl)-2-[(5-methylfuran-2-yl)methyl]imidazo[1,2-a]pyrazin-3-yl] acetate
CID 135364755
[6-(4-acetyloxyphenyl)-2-[(4-acetyloxyphenyl)methyl]-8-benzylimidazo[1,2-a]pyrazin-3-yl]oxymethyl acetate
CID 58960213
[8-[(2,3-difluorophenyl)methyl]-2-[(4,5-dimethylfuran-2-yl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-yl] acetate
CID 146503597
8-benzyl-6-(3-methylphenyl)-2-[[5-(trifluoromethyl)furan-2-yl]methyl]imidazo[1,2-a]pyrazin-3-ol
CID 158012786

Frequently Asked Questions

What is the IUPAC name of [2-benzyl-6-phenyl-8-[[3-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyrazin-3-yl] acetate?
The IUPAC name of [2-benzyl-6-phenyl-8-[[3-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyrazin-3-yl] acetate (CID 142461559) is [2-benzyl-6-phenyl-8-[[3-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyrazin-3-yl] acetate.
What is the SMILES notation for [2-benzyl-6-phenyl-8-[[3-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyrazin-3-yl] acetate?
The canonical SMILES for [2-benzyl-6-phenyl-8-[[3-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyrazin-3-yl] acetate is CC(=O)Oc1c(Cc2ccccc2)nc2c(Cc3cccc(C(F)(F)F)c3)nc(-c3ccccc3)cn12.
What is the InChIKey of [2-benzyl-6-phenyl-8-[[3-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyrazin-3-yl] acetate?
The InChIKey is PQKMTSSNYXLBPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22F3N3O2/c1-19(36)37-28-25(16-20-9-4-2-5-10-20)34-27-24(17-21-11-8-14-23(15-21)29(30,31)32)33-26(18-35(27)28)22-12-6-3-7-13-22/h2-15,18H,16-17H2,1H3.
What are the key properties of [2-benzyl-6-phenyl-8-[[3-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyrazin-3-yl] acetate?
[2-benzyl-6-phenyl-8-[[3-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyrazin-3-yl] acetate has a molecular weight of 501.51 g/mol, XLogP of 6.52, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-benzyl-6-phenyl-8-[[3-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyrazin-3-yl] acetate is sourced from PubChem (CID 142461559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).