6-(5-bromo-2-fluorophenyl)-2-(difluoromethyl)-6-methyl-5,7-dihydroimidazo[1,2-a]pyrazin-8-one

C14H11BrF3N3O — CID 67984540

IUPAC6-(5-bromo-2-fluorophenyl)-2-(difluoromethyl)-6-methyl-5,7-dihydroimidazo[1,2-a]pyrazin-8-one
SMILESCC1(c2cc(Br)ccc2F)Cn2cc(C(F)F)nc2C(=O)N1
InChIInChI=1S/C14H11BrF3N3O/c1-14(8-4-7(15)2-3-9(8)16)6-21-5-10(11(17)18)19-12(21)13(22)20-14/h2-5,11H,6H2,1H3,(H,20,22)
InChIKeyHEFDKEIZDCWIOW-UHFFFAOYSA-N
MW374.16 g/mol
LogP3.38
Rot. Bonds2

About 6-(5-bromo-2-fluorophenyl)-2-(difluoromethyl)-6-methyl-5,7-dihydroimidazo[1,2-a]pyrazin-8-one

6-(5-bromo-2-fluorophenyl)-2-(difluoromethyl)-6-methyl-5,7-dihydroimidazo[1,2-a]pyrazin-8-one (PubChem CID 67984540) has the molecular formula C14H11BrF3N3O and a molecular weight of 374.16 g/mol. Its IUPAC name is 6-(5-bromo-2-fluorophenyl)-2-(difluoromethyl)-6-methyl-5,7-dihydroimidazo[1,2-a]pyrazin-8-one.

Molecular Properties

Compound Name6-(5-bromo-2-fluorophenyl)-2-(difluoromethyl)-6-methyl-5,7-dihydroimidazo[1,2-a]pyrazin-8-one
PubChem CID67984540
Molecular FormulaC14H11BrF3N3O
Molecular Weight374.16 g/mol
Exact Mass373.00
IUPAC Name6-(5-bromo-2-fluorophenyl)-2-(difluoromethyl)-6-methyl-5,7-dihydroimidazo[1,2-a]pyrazin-8-one
SMILESCC1(c2cc(Br)ccc2F)Cn2cc(C(F)F)nc2C(=O)N1
InChIInChI=1S/C14H11BrF3N3O/c1-14(8-4-7(15)2-3-9(8)16)6-21-5-10(11(17)18)19-12(21)13(22)20-14/h2-5,11H,6H2,1H3,(H,20,22)
InChIKeyHEFDKEIZDCWIOW-UHFFFAOYSA-N
XLogP3.38
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.16
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(5-bromo-2-fluorophenyl)-2-(difluoromethyl)-6-methyl-5,7-dihydroimidazo[1,2-a]pyrazin-8-one?
The IUPAC name of 6-(5-bromo-2-fluorophenyl)-2-(difluoromethyl)-6-methyl-5,7-dihydroimidazo[1,2-a]pyrazin-8-one (CID 67984540) is 6-(5-bromo-2-fluorophenyl)-2-(difluoromethyl)-6-methyl-5,7-dihydroimidazo[1,2-a]pyrazin-8-one.
What is the SMILES notation for 6-(5-bromo-2-fluorophenyl)-2-(difluoromethyl)-6-methyl-5,7-dihydroimidazo[1,2-a]pyrazin-8-one?
The canonical SMILES for 6-(5-bromo-2-fluorophenyl)-2-(difluoromethyl)-6-methyl-5,7-dihydroimidazo[1,2-a]pyrazin-8-one is CC1(c2cc(Br)ccc2F)Cn2cc(C(F)F)nc2C(=O)N1.
What is the InChIKey of 6-(5-bromo-2-fluorophenyl)-2-(difluoromethyl)-6-methyl-5,7-dihydroimidazo[1,2-a]pyrazin-8-one?
The InChIKey is HEFDKEIZDCWIOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrF3N3O/c1-14(8-4-7(15)2-3-9(8)16)6-21-5-10(11(17)18)19-12(21)13(22)20-14/h2-5,11H,6H2,1H3,(H,20,22).
What are the key properties of 6-(5-bromo-2-fluorophenyl)-2-(difluoromethyl)-6-methyl-5,7-dihydroimidazo[1,2-a]pyrazin-8-one?
6-(5-bromo-2-fluorophenyl)-2-(difluoromethyl)-6-methyl-5,7-dihydroimidazo[1,2-a]pyrazin-8-one has a molecular weight of 374.16 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-bromo-2-fluorophenyl)-2-(difluoromethyl)-6-methyl-5,7-dihydroimidazo[1,2-a]pyrazin-8-one is sourced from PubChem (CID 67984540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).