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

C26H21F2N3O — CID 172849216

IUPAC8-[(2,6-difluorophenyl)methyl]-2-[(5-ethylfuran-2-yl)methyl]-6-phenylimidazo[1,2-a]pyrazine
SMILESCCc1ccc(Cc2cn3cc(-c4ccccc4)nc(Cc4c(F)cccc4F)c3n2)o1
InChIInChI=1S/C26H21F2N3O/c1-2-19-11-12-20(32-19)13-18-15-31-16-25(17-7-4-3-5-8-17)30-24(26(31)29-18)14-21-22(27)9-6-10-23(21)28/h3-12,15-16H,2,13-14H2,1H3
InChIKeyXVMMCTILXXUKNI-UHFFFAOYSA-N
MW429.47 g/mol
LogP6.01
Rot. Bonds6

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

8-[(2,6-difluorophenyl)methyl]-2-[(5-ethylfuran-2-yl)methyl]-6-phenylimidazo[1,2-a]pyrazine (PubChem CID 172849216) has the molecular formula C26H21F2N3O and a molecular weight of 429.47 g/mol. Its IUPAC name is 8-[(2,6-difluorophenyl)methyl]-2-[(5-ethylfuran-2-yl)methyl]-6-phenylimidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name8-[(2,6-difluorophenyl)methyl]-2-[(5-ethylfuran-2-yl)methyl]-6-phenylimidazo[1,2-a]pyrazine
PubChem CID172849216
Molecular FormulaC26H21F2N3O
Molecular Weight429.47 g/mol
Exact Mass429.17
IUPAC Name8-[(2,6-difluorophenyl)methyl]-2-[(5-ethylfuran-2-yl)methyl]-6-phenylimidazo[1,2-a]pyrazine
SMILESCCc1ccc(Cc2cn3cc(-c4ccccc4)nc(Cc4c(F)cccc4F)c3n2)o1
InChIInChI=1S/C26H21F2N3O/c1-2-19-11-12-20(32-19)13-18-15-31-16-25(17-7-4-3-5-8-17)30-24(26(31)29-18)14-21-22(27)9-6-10-23(21)28/h3-12,15-16H,2,13-14H2,1H3
InChIKeyXVMMCTILXXUKNI-UHFFFAOYSA-N
XLogP6.01
TPSA43.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.47
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-[(2,6-difluorophenyl)methyl]-2-[(5-ethylfuran-2-yl)methyl]-6-phenylimidazo[1,2-a]pyrazine?
The IUPAC name of 8-[(2,6-difluorophenyl)methyl]-2-[(5-ethylfuran-2-yl)methyl]-6-phenylimidazo[1,2-a]pyrazine (CID 172849216) is 8-[(2,6-difluorophenyl)methyl]-2-[(5-ethylfuran-2-yl)methyl]-6-phenylimidazo[1,2-a]pyrazine.
What is the SMILES notation for 8-[(2,6-difluorophenyl)methyl]-2-[(5-ethylfuran-2-yl)methyl]-6-phenylimidazo[1,2-a]pyrazine?
The canonical SMILES for 8-[(2,6-difluorophenyl)methyl]-2-[(5-ethylfuran-2-yl)methyl]-6-phenylimidazo[1,2-a]pyrazine is CCc1ccc(Cc2cn3cc(-c4ccccc4)nc(Cc4c(F)cccc4F)c3n2)o1.
What is the InChIKey of 8-[(2,6-difluorophenyl)methyl]-2-[(5-ethylfuran-2-yl)methyl]-6-phenylimidazo[1,2-a]pyrazine?
The InChIKey is XVMMCTILXXUKNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21F2N3O/c1-2-19-11-12-20(32-19)13-18-15-31-16-25(17-7-4-3-5-8-17)30-24(26(31)29-18)14-21-22(27)9-6-10-23(21)28/h3-12,15-16H,2,13-14H2,1H3.
What are the key properties of 8-[(2,6-difluorophenyl)methyl]-2-[(5-ethylfuran-2-yl)methyl]-6-phenylimidazo[1,2-a]pyrazine?
8-[(2,6-difluorophenyl)methyl]-2-[(5-ethylfuran-2-yl)methyl]-6-phenylimidazo[1,2-a]pyrazine has a molecular weight of 429.47 g/mol, XLogP of 6.01, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2,6-difluorophenyl)methyl]-2-[(5-ethylfuran-2-yl)methyl]-6-phenylimidazo[1,2-a]pyrazine is sourced from PubChem (CID 172849216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).