[2,8-dibenzyl-6-(2-methoxyphenyl)imidazo[1,2-a]pyrazin-3-yl] acetate

C29H25N3O3 — CID 135364610

IUPAC[2,8-dibenzyl-6-(2-methoxyphenyl)imidazo[1,2-a]pyrazin-3-yl] acetate
SMILESCOc1ccccc1-c1cn2c(OC(C)=O)c(Cc3ccccc3)nc2c(Cc2ccccc2)n1
InChIInChI=1S/C29H25N3O3/c1-20(33)35-29-25(18-22-13-7-4-8-14-22)31-28-24(17-21-11-5-3-6-12-21)30-26(19-32(28)29)23-15-9-10-16-27(23)34-2/h3-16,19H,17-18H2,1-2H3
InChIKeyVQPMVYSYCOUYDD-UHFFFAOYSA-N
MW463.54 g/mol
LogP5.51
Rot. Bonds7

About [2,8-dibenzyl-6-(2-methoxyphenyl)imidazo[1,2-a]pyrazin-3-yl] acetate

[2,8-dibenzyl-6-(2-methoxyphenyl)imidazo[1,2-a]pyrazin-3-yl] acetate (PubChem CID 135364610) has the molecular formula C29H25N3O3 and a molecular weight of 463.54 g/mol. Its IUPAC name is [2,8-dibenzyl-6-(2-methoxyphenyl)imidazo[1,2-a]pyrazin-3-yl] acetate.

Molecular Properties

Compound Name[2,8-dibenzyl-6-(2-methoxyphenyl)imidazo[1,2-a]pyrazin-3-yl] acetate
PubChem CID135364610
Molecular FormulaC29H25N3O3
Molecular Weight463.54 g/mol
Exact Mass463.19
IUPAC Name[2,8-dibenzyl-6-(2-methoxyphenyl)imidazo[1,2-a]pyrazin-3-yl] acetate
SMILESCOc1ccccc1-c1cn2c(OC(C)=O)c(Cc3ccccc3)nc2c(Cc2ccccc2)n1
InChIInChI=1S/C29H25N3O3/c1-20(33)35-29-25(18-22-13-7-4-8-14-22)31-28-24(17-21-11-5-3-6-12-21)30-26(19-32(28)29)23-15-9-10-16-27(23)34-2/h3-16,19H,17-18H2,1-2H3
InChIKeyVQPMVYSYCOUYDD-UHFFFAOYSA-N
XLogP5.51
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.54
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[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
[8-benzyl-6-(4-methoxyphenyl)-2-[(5-methylfuran-2-yl)methyl]imidazo[1,2-a]pyrazin-3-yl] acetate
CID 135364755
[2,8-dibenzyl-6-(3-fluoro-4-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-yl] acetate
CID 135364833
[2-benzyl-6-phenyl-8-[[3-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyrazin-3-yl] acetate
CID 142461559
[8-benzyl-6-phenyl-2-[[3-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyrazin-3-yl] acetate
CID 135364704
[8-benzyl-2-[(5-ethyl-4-methylfuran-2-yl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-yl] acetate
CID 135368183
[8-benzyl-6-phenyl-2-[[5-(trifluoromethyl)furan-2-yl]methyl]imidazo[1,2-a]pyrazin-3-yl] acetate
CID 135364458
[8-benzyl-2-[(4-ethyl-5-methylfuran-2-yl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-yl] acetate
CID 135368245
[6-(4-acetyloxyphenyl)-2-[(4-acetyloxyphenyl)methyl]-8-benzylimidazo[1,2-a]pyrazin-3-yl]oxymethyl acetate
CID 58960213
[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
[8-[(3,5-difluorophenyl)methyl]-2-[(5-methylfuran-2-yl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-yl] acetate
CID 135367992

Frequently Asked Questions

What is the IUPAC name of [2,8-dibenzyl-6-(2-methoxyphenyl)imidazo[1,2-a]pyrazin-3-yl] acetate?
The IUPAC name of [2,8-dibenzyl-6-(2-methoxyphenyl)imidazo[1,2-a]pyrazin-3-yl] acetate (CID 135364610) is [2,8-dibenzyl-6-(2-methoxyphenyl)imidazo[1,2-a]pyrazin-3-yl] acetate.
What is the SMILES notation for [2,8-dibenzyl-6-(2-methoxyphenyl)imidazo[1,2-a]pyrazin-3-yl] acetate?
The canonical SMILES for [2,8-dibenzyl-6-(2-methoxyphenyl)imidazo[1,2-a]pyrazin-3-yl] acetate is COc1ccccc1-c1cn2c(OC(C)=O)c(Cc3ccccc3)nc2c(Cc2ccccc2)n1.
What is the InChIKey of [2,8-dibenzyl-6-(2-methoxyphenyl)imidazo[1,2-a]pyrazin-3-yl] acetate?
The InChIKey is VQPMVYSYCOUYDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25N3O3/c1-20(33)35-29-25(18-22-13-7-4-8-14-22)31-28-24(17-21-11-5-3-6-12-21)30-26(19-32(28)29)23-15-9-10-16-27(23)34-2/h3-16,19H,17-18H2,1-2H3.
What are the key properties of [2,8-dibenzyl-6-(2-methoxyphenyl)imidazo[1,2-a]pyrazin-3-yl] acetate?
[2,8-dibenzyl-6-(2-methoxyphenyl)imidazo[1,2-a]pyrazin-3-yl] acetate has a molecular weight of 463.54 g/mol, XLogP of 5.51, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2,8-dibenzyl-6-(2-methoxyphenyl)imidazo[1,2-a]pyrazin-3-yl] acetate is sourced from PubChem (CID 135364610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).