6-(3-fluorophenyl)-8-[(2-fluorophenyl)methyl]-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol

C24H17F2N3O2 — CID 166607093

IUPAC6-(3-fluorophenyl)-8-[(2-fluorophenyl)methyl]-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol
SMILESOc1c(Cc2ccco2)nc2c(Cc3ccccc3F)nc(-c3cccc(F)c3)cn12
InChIInChI=1S/C24H17F2N3O2/c25-17-7-3-6-16(11-17)22-14-29-23(20(27-22)12-15-5-1-2-9-19(15)26)28-21(24(29)30)13-18-8-4-10-31-18/h1-11,14,30H,12-13H2
InChIKeyVNXYQHJCGAVUEH-UHFFFAOYSA-N
MW417.42 g/mol
LogP5.15
Rot. Bonds5

About 6-(3-fluorophenyl)-8-[(2-fluorophenyl)methyl]-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol

6-(3-fluorophenyl)-8-[(2-fluorophenyl)methyl]-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol (PubChem CID 166607093) has the molecular formula C24H17F2N3O2 and a molecular weight of 417.42 g/mol. Its IUPAC name is 6-(3-fluorophenyl)-8-[(2-fluorophenyl)methyl]-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol.

Molecular Properties

Compound Name6-(3-fluorophenyl)-8-[(2-fluorophenyl)methyl]-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol
PubChem CID166607093
Molecular FormulaC24H17F2N3O2
Molecular Weight417.42 g/mol
Exact Mass417.13
IUPAC Name6-(3-fluorophenyl)-8-[(2-fluorophenyl)methyl]-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol
SMILESOc1c(Cc2ccco2)nc2c(Cc3ccccc3F)nc(-c3cccc(F)c3)cn12
InChIInChI=1S/C24H17F2N3O2/c25-17-7-3-6-16(11-17)22-14-29-23(20(27-22)12-15-5-1-2-9-19(15)26)28-21(24(29)30)13-18-8-4-10-31-18/h1-11,14,30H,12-13H2
InChIKeyVNXYQHJCGAVUEH-UHFFFAOYSA-N
XLogP5.15
TPSA63.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.42
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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
N-[2-ethyl-8-[2-(4-fluorophenyl)-2-oxoethoxy]imidazo[1,2-a]pyridin-3-yl]-N,2-dimethylpropanamide
CID 49778795
N-[2-ethyl-8-[2-(4-fluorophenyl)-2-oxoethoxy]imidazo[1,2-a]pyridin-3-yl]-N-methyl-2-phenoxyacetamide
CID 49786482
N-[2-ethyl-8-(3-methylbut-2-enoxy)imidazo[1,2-a]pyridin-3-yl]-2-fluoro-N-methylbenzamide
CID 49789736
N-[8-(cyclohexylmethoxy)-2-ethylimidazo[1,2-a]pyridin-3-yl]-2-fluoro-N-methylbenzamide
CID 49791079
3-Benzyl-2-(furan-2-yl)-6-methylimidazo[1,2-a]pyridine
CID 51359014
3-[(3-Fluorophenyl)methyl]-2-(2-furanyl)imidazo[2,1-a]isoquinoline
CID 51359072
2-Fluoro-5-[7-(furan-2-yl)imidazo[1,2-a]pyridin-3-yl]benzonitrile
CID 118733892
2-[4-[7-(Furan-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]acetonitrile
CID 118733893
7-(Furan-2-yl)-3-(4-methylphenyl)imidazo[1,2-a]pyridine
CID 118733894
3-(4-Fluorophenyl)-7-(furan-2-yl)imidazo[1,2-a]pyridine
CID 118733895
2-(Furan-2-yl)-6-phenylimidazo[1,2-a]pyrazin-8-amine
CID 137658892

Frequently Asked Questions

What is the IUPAC name of 6-(3-fluorophenyl)-8-[(2-fluorophenyl)methyl]-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol?
The IUPAC name of 6-(3-fluorophenyl)-8-[(2-fluorophenyl)methyl]-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol (CID 166607093) is 6-(3-fluorophenyl)-8-[(2-fluorophenyl)methyl]-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol.
What is the SMILES notation for 6-(3-fluorophenyl)-8-[(2-fluorophenyl)methyl]-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol?
The canonical SMILES for 6-(3-fluorophenyl)-8-[(2-fluorophenyl)methyl]-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol is Oc1c(Cc2ccco2)nc2c(Cc3ccccc3F)nc(-c3cccc(F)c3)cn12.
What is the InChIKey of 6-(3-fluorophenyl)-8-[(2-fluorophenyl)methyl]-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol?
The InChIKey is VNXYQHJCGAVUEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F2N3O2/c25-17-7-3-6-16(11-17)22-14-29-23(20(27-22)12-15-5-1-2-9-19(15)26)28-21(24(29)30)13-18-8-4-10-31-18/h1-11,14,30H,12-13H2.
What are the key properties of 6-(3-fluorophenyl)-8-[(2-fluorophenyl)methyl]-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol?
6-(3-fluorophenyl)-8-[(2-fluorophenyl)methyl]-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol has a molecular weight of 417.42 g/mol, XLogP of 5.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluorophenyl)-8-[(2-fluorophenyl)methyl]-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol is sourced from PubChem (CID 166607093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).