2-[2-[(4,5-dimethylfuran-2-yl)methyl]-8-[(2-fluorophenyl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-yl]acetic acid

C28H24FN3O3 — CID 135368791

IUPAC2-[2-[(4,5-dimethylfuran-2-yl)methyl]-8-[(2-fluorophenyl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-yl]acetic acid
SMILESCc1cc(Cc2nc3c(Cc4ccccc4F)nc(-c4ccccc4)cn3c2CC(=O)O)oc1C
InChIInChI=1S/C28H24FN3O3/c1-17-12-21(35-18(17)2)14-23-26(15-27(33)34)32-16-25(19-8-4-3-5-9-19)30-24(28(32)31-23)13-20-10-6-7-11-22(20)29/h3-12,16H,13-15H2,1-2H3,(H,33,34)
InChIKeyUURXKMAWVVVRCN-UHFFFAOYSA-N
MW469.52 g/mol
LogP5.55
Rot. Bonds7

About 2-[2-[(4,5-dimethylfuran-2-yl)methyl]-8-[(2-fluorophenyl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-yl]acetic acid

2-[2-[(4,5-dimethylfuran-2-yl)methyl]-8-[(2-fluorophenyl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-yl]acetic acid (PubChem CID 135368791) has the molecular formula C28H24FN3O3 and a molecular weight of 469.52 g/mol. Its IUPAC name is 2-[2-[(4,5-dimethylfuran-2-yl)methyl]-8-[(2-fluorophenyl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[(4,5-dimethylfuran-2-yl)methyl]-8-[(2-fluorophenyl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-yl]acetic acid
PubChem CID135368791
Molecular FormulaC28H24FN3O3
Molecular Weight469.52 g/mol
Exact Mass469.18
IUPAC Name2-[2-[(4,5-dimethylfuran-2-yl)methyl]-8-[(2-fluorophenyl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-yl]acetic acid
SMILESCc1cc(Cc2nc3c(Cc4ccccc4F)nc(-c4ccccc4)cn3c2CC(=O)O)oc1C
InChIInChI=1S/C28H24FN3O3/c1-17-12-21(35-18(17)2)14-23-26(15-27(33)34)32-16-25(19-8-4-3-5-9-19)30-24(28(32)31-23)13-20-10-6-7-11-22(20)29/h3-12,16H,13-15H2,1-2H3,(H,33,34)
InChIKeyUURXKMAWVVVRCN-UHFFFAOYSA-N
XLogP5.55
TPSA80.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.52
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[8-[(2,3-difluorophenyl)methyl]-2-[(4,5-dimethylfuran-2-yl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-yl] acetate
CID 146503597
[8-[(2,3-difluorophenyl)methyl]-2-[(4-ethyl-5-methylfuran-2-yl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-yl] acetate
CID 135368224
[8-benzyl-2-[(4-ethyl-5-methylfuran-2-yl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-yl] acetate
CID 135368245
[8-benzyl-2-[(5-ethyl-4-methylfuran-2-yl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-yl] acetate
CID 135368183
[2-benzyl-8-[(2-methylphenyl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-yl] acetate
CID 135364502
[8-[(3,5-difluorophenyl)methyl]-2-[(5-methylfuran-2-yl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-yl] acetate
CID 135367992
[8-benzyl-6-phenyl-2-[[5-(trifluoromethyl)furan-2-yl]methyl]imidazo[1,2-a]pyrazin-3-yl] acetate
CID 135364458
[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
8-[(2,3-difluorophenyl)methyl]-2-[(4,5-dimethylfuran-2-yl)methyl]-6-phenyl-1,2-dihydroimidazo[1,2-a]pyrazin-4-ium-3-one
CID 154039848
2-[[3-[(2,6-difluorophenyl)methyl]-5-phenylpyrazin-2-yl]methyl]-3-(4,5-dimethylfuran-2-yl)propanoic acid
CID 135368342
8-benzyl-2-[(2,4-difluorophenyl)methyl]-6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-ol
CID 136859305

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4,5-dimethylfuran-2-yl)methyl]-8-[(2-fluorophenyl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-yl]acetic acid?
The IUPAC name of 2-[2-[(4,5-dimethylfuran-2-yl)methyl]-8-[(2-fluorophenyl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-yl]acetic acid (CID 135368791) is 2-[2-[(4,5-dimethylfuran-2-yl)methyl]-8-[(2-fluorophenyl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-yl]acetic acid.
What is the SMILES notation for 2-[2-[(4,5-dimethylfuran-2-yl)methyl]-8-[(2-fluorophenyl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-yl]acetic acid?
The canonical SMILES for 2-[2-[(4,5-dimethylfuran-2-yl)methyl]-8-[(2-fluorophenyl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-yl]acetic acid is Cc1cc(Cc2nc3c(Cc4ccccc4F)nc(-c4ccccc4)cn3c2CC(=O)O)oc1C.
What is the InChIKey of 2-[2-[(4,5-dimethylfuran-2-yl)methyl]-8-[(2-fluorophenyl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-yl]acetic acid?
The InChIKey is UURXKMAWVVVRCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24FN3O3/c1-17-12-21(35-18(17)2)14-23-26(15-27(33)34)32-16-25(19-8-4-3-5-9-19)30-24(28(32)31-23)13-20-10-6-7-11-22(20)29/h3-12,16H,13-15H2,1-2H3,(H,33,34).
What are the key properties of 2-[2-[(4,5-dimethylfuran-2-yl)methyl]-8-[(2-fluorophenyl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-yl]acetic acid?
2-[2-[(4,5-dimethylfuran-2-yl)methyl]-8-[(2-fluorophenyl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-yl]acetic acid has a molecular weight of 469.52 g/mol, XLogP of 5.55, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4,5-dimethylfuran-2-yl)methyl]-8-[(2-fluorophenyl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-yl]acetic acid is sourced from PubChem (CID 135368791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).