[2,8-dibenzyl-6-(3-fluoro-4-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-yl] acetate

C28H22FN3O3 — CID 135364833

IUPAC[2,8-dibenzyl-6-(3-fluoro-4-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-yl] acetate
SMILESCC(=O)Oc1c(Cc2ccccc2)nc2c(Cc3ccccc3)nc(-c3ccc(O)c(F)c3)cn12
InChIInChI=1S/C28H22FN3O3/c1-18(33)35-28-24(15-20-10-6-3-7-11-20)31-27-23(14-19-8-4-2-5-9-19)30-25(17-32(27)28)21-12-13-26(34)22(29)16-21/h2-13,16-17,34H,14-15H2,1H3
InChIKeyBVDOJOHBBBMMRW-UHFFFAOYSA-N
MW467.50 g/mol
LogP5.35
Rot. Bonds6

About [2,8-dibenzyl-6-(3-fluoro-4-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-yl] acetate

[2,8-dibenzyl-6-(3-fluoro-4-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-yl] acetate (PubChem CID 135364833) has the molecular formula C28H22FN3O3 and a molecular weight of 467.50 g/mol. Its IUPAC name is [2,8-dibenzyl-6-(3-fluoro-4-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-yl] acetate.

Molecular Properties

Compound Name[2,8-dibenzyl-6-(3-fluoro-4-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-yl] acetate
PubChem CID135364833
Molecular FormulaC28H22FN3O3
Molecular Weight467.50 g/mol
Exact Mass467.16
IUPAC Name[2,8-dibenzyl-6-(3-fluoro-4-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-yl] acetate
SMILESCC(=O)Oc1c(Cc2ccccc2)nc2c(Cc3ccccc3)nc(-c3ccc(O)c(F)c3)cn12
InChIInChI=1S/C28H22FN3O3/c1-18(33)35-28-24(15-20-10-6-3-7-11-20)31-27-23(14-19-8-4-2-5-9-19)30-25(17-32(27)28)21-12-13-26(34)22(29)16-21/h2-13,16-17,34H,14-15H2,1H3
InChIKeyBVDOJOHBBBMMRW-UHFFFAOYSA-N
XLogP5.35
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.50
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[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-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-phenyl-2-[[5-(trifluoromethyl)furan-2-yl]methyl]imidazo[1,2-a]pyrazin-3-yl] acetate
CID 135364458
[2,8-dibenzyl-6-(2-methoxyphenyl)imidazo[1,2-a]pyrazin-3-yl] acetate
CID 135364610
[8-benzyl-2-[(4-ethyl-5-methylfuran-2-yl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-yl] acetate
CID 135368245
[8-benzyl-6-(4-methoxyphenyl)-2-[(5-methylfuran-2-yl)methyl]imidazo[1,2-a]pyrazin-3-yl] acetate
CID 135364755
[8-[(3,5-difluorophenyl)methyl]-2-[(5-methylfuran-2-yl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-yl] acetate
CID 135367992
[8-benzyl-2-[(5-ethyl-4-methylfuran-2-yl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-yl] acetate
CID 135368183
[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

Frequently Asked Questions

What is the IUPAC name of [2,8-dibenzyl-6-(3-fluoro-4-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-yl] acetate?
The IUPAC name of [2,8-dibenzyl-6-(3-fluoro-4-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-yl] acetate (CID 135364833) is [2,8-dibenzyl-6-(3-fluoro-4-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-yl] acetate.
What is the SMILES notation for [2,8-dibenzyl-6-(3-fluoro-4-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-yl] acetate?
The canonical SMILES for [2,8-dibenzyl-6-(3-fluoro-4-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-yl] acetate is CC(=O)Oc1c(Cc2ccccc2)nc2c(Cc3ccccc3)nc(-c3ccc(O)c(F)c3)cn12.
What is the InChIKey of [2,8-dibenzyl-6-(3-fluoro-4-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-yl] acetate?
The InChIKey is BVDOJOHBBBMMRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22FN3O3/c1-18(33)35-28-24(15-20-10-6-3-7-11-20)31-27-23(14-19-8-4-2-5-9-19)30-25(17-32(27)28)21-12-13-26(34)22(29)16-21/h2-13,16-17,34H,14-15H2,1H3.
What are the key properties of [2,8-dibenzyl-6-(3-fluoro-4-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-yl] acetate?
[2,8-dibenzyl-6-(3-fluoro-4-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-yl] acetate has a molecular weight of 467.50 g/mol, XLogP of 5.35, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2,8-dibenzyl-6-(3-fluoro-4-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-yl] acetate is sourced from PubChem (CID 135364833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).