8-[(2,3-difluorophenyl)methyl]-2-[(4,5-dimethylfuran-2-yl)methyl]-6-phenylimidazo[1,2-a]pyrazine

C26H21F2N3O — CID 135368801

IUPAC8-[(2,3-difluorophenyl)methyl]-2-[(4,5-dimethylfuran-2-yl)methyl]-6-phenylimidazo[1,2-a]pyrazine
SMILESCc1cc(Cc2cn3cc(-c4ccccc4)nc(Cc4cccc(F)c4F)c3n2)oc1C
InChIInChI=1S/C26H21F2N3O/c1-16-11-21(32-17(16)2)13-20-14-31-15-24(18-7-4-3-5-8-18)30-23(26(31)29-20)12-19-9-6-10-22(27)25(19)28/h3-11,14-15H,12-13H2,1-2H3
InChIKeyYRVAGUSLXFJEOR-UHFFFAOYSA-N
MW429.47 g/mol
LogP6.07
Rot. Bonds5

About 8-[(2,3-difluorophenyl)methyl]-2-[(4,5-dimethylfuran-2-yl)methyl]-6-phenylimidazo[1,2-a]pyrazine

8-[(2,3-difluorophenyl)methyl]-2-[(4,5-dimethylfuran-2-yl)methyl]-6-phenylimidazo[1,2-a]pyrazine (PubChem CID 135368801) has the molecular formula C26H21F2N3O and a molecular weight of 429.47 g/mol. Its IUPAC name is 8-[(2,3-difluorophenyl)methyl]-2-[(4,5-dimethylfuran-2-yl)methyl]-6-phenylimidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name8-[(2,3-difluorophenyl)methyl]-2-[(4,5-dimethylfuran-2-yl)methyl]-6-phenylimidazo[1,2-a]pyrazine
PubChem CID135368801
Molecular FormulaC26H21F2N3O
Molecular Weight429.47 g/mol
Exact Mass429.17
IUPAC Name8-[(2,3-difluorophenyl)methyl]-2-[(4,5-dimethylfuran-2-yl)methyl]-6-phenylimidazo[1,2-a]pyrazine
SMILESCc1cc(Cc2cn3cc(-c4ccccc4)nc(Cc4cccc(F)c4F)c3n2)oc1C
InChIInChI=1S/C26H21F2N3O/c1-16-11-21(32-17(16)2)13-20-14-31-15-24(18-7-4-3-5-8-18)30-23(26(31)29-20)12-19-9-6-10-22(27)25(19)28/h3-11,14-15H,12-13H2,1-2H3
InChIKeyYRVAGUSLXFJEOR-UHFFFAOYSA-N
XLogP6.07
TPSA43.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.47
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-[(2,3-difluorophenyl)methyl]-2-[(4,5-dimethylfuran-2-yl)methyl]-6-phenylimidazo[1,2-a]pyrazine?
The IUPAC name of 8-[(2,3-difluorophenyl)methyl]-2-[(4,5-dimethylfuran-2-yl)methyl]-6-phenylimidazo[1,2-a]pyrazine (CID 135368801) is 8-[(2,3-difluorophenyl)methyl]-2-[(4,5-dimethylfuran-2-yl)methyl]-6-phenylimidazo[1,2-a]pyrazine.
What is the SMILES notation for 8-[(2,3-difluorophenyl)methyl]-2-[(4,5-dimethylfuran-2-yl)methyl]-6-phenylimidazo[1,2-a]pyrazine?
The canonical SMILES for 8-[(2,3-difluorophenyl)methyl]-2-[(4,5-dimethylfuran-2-yl)methyl]-6-phenylimidazo[1,2-a]pyrazine is Cc1cc(Cc2cn3cc(-c4ccccc4)nc(Cc4cccc(F)c4F)c3n2)oc1C.
What is the InChIKey of 8-[(2,3-difluorophenyl)methyl]-2-[(4,5-dimethylfuran-2-yl)methyl]-6-phenylimidazo[1,2-a]pyrazine?
The InChIKey is YRVAGUSLXFJEOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21F2N3O/c1-16-11-21(32-17(16)2)13-20-14-31-15-24(18-7-4-3-5-8-18)30-23(26(31)29-20)12-19-9-6-10-22(27)25(19)28/h3-11,14-15H,12-13H2,1-2H3.
What are the key properties of 8-[(2,3-difluorophenyl)methyl]-2-[(4,5-dimethylfuran-2-yl)methyl]-6-phenylimidazo[1,2-a]pyrazine?
8-[(2,3-difluorophenyl)methyl]-2-[(4,5-dimethylfuran-2-yl)methyl]-6-phenylimidazo[1,2-a]pyrazine has a molecular weight of 429.47 g/mol, XLogP of 6.07, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2,3-difluorophenyl)methyl]-2-[(4,5-dimethylfuran-2-yl)methyl]-6-phenylimidazo[1,2-a]pyrazine is sourced from PubChem (CID 135368801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).