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

C24H17F2N3O2 — CID 166607092

IUPAC8-benzyl-6-(2,3-difluorophenyl)-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol
SMILESOc1c(Cc2ccco2)nc2c(Cc3ccccc3)nc(-c3cccc(F)c3F)cn12
InChIInChI=1S/C24H17F2N3O2/c25-18-10-4-9-17(22(18)26)21-14-29-23(19(27-21)12-15-6-2-1-3-7-15)28-20(24(29)30)13-16-8-5-11-31-16/h1-11,14,30H,12-13H2
InChIKeyZTAUGNPDYKBLPP-UHFFFAOYSA-N
MW417.42 g/mol
LogP5.15
Rot. Bonds5

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

8-benzyl-6-(2,3-difluorophenyl)-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol (PubChem CID 166607092) has the molecular formula C24H17F2N3O2 and a molecular weight of 417.42 g/mol. Its IUPAC name is 8-benzyl-6-(2,3-difluorophenyl)-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol.

Molecular Properties

Compound Name8-benzyl-6-(2,3-difluorophenyl)-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol
PubChem CID166607092
Molecular FormulaC24H17F2N3O2
Molecular Weight417.42 g/mol
Exact Mass417.13
IUPAC Name8-benzyl-6-(2,3-difluorophenyl)-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol
SMILESOc1c(Cc2ccco2)nc2c(Cc3ccccc3)nc(-c3cccc(F)c3F)cn12
InChIInChI=1S/C24H17F2N3O2/c25-18-10-4-9-17(22(18)26)21-14-29-23(19(27-21)12-15-6-2-1-3-7-15)28-20(24(29)30)13-16-8-5-11-31-16/h1-11,14,30H,12-13H2
InChIKeyZTAUGNPDYKBLPP-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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Frequently Asked Questions

What is the IUPAC name of 8-benzyl-6-(2,3-difluorophenyl)-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol?
The IUPAC name of 8-benzyl-6-(2,3-difluorophenyl)-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol (CID 166607092) is 8-benzyl-6-(2,3-difluorophenyl)-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol.
What is the SMILES notation for 8-benzyl-6-(2,3-difluorophenyl)-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol?
The canonical SMILES for 8-benzyl-6-(2,3-difluorophenyl)-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol is Oc1c(Cc2ccco2)nc2c(Cc3ccccc3)nc(-c3cccc(F)c3F)cn12.
What is the InChIKey of 8-benzyl-6-(2,3-difluorophenyl)-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol?
The InChIKey is ZTAUGNPDYKBLPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F2N3O2/c25-18-10-4-9-17(22(18)26)21-14-29-23(19(27-21)12-15-6-2-1-3-7-15)28-20(24(29)30)13-16-8-5-11-31-16/h1-11,14,30H,12-13H2.
What are the key properties of 8-benzyl-6-(2,3-difluorophenyl)-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol?
8-benzyl-6-(2,3-difluorophenyl)-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 8-benzyl-6-(2,3-difluorophenyl)-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol is sourced from PubChem (CID 166607092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).