6-bromo-8-methyl-2-(oxan-4-yl)imidazo[1,2-a]pyrazine;5-bromo-3-methylpyrazin-2-amine;1-[6-(difluoromethyl)-2-pyridinyl]-2-[8-methyl-2-(oxan-4-yl)imidazo[1,2-a]pyrazin-6-yl]ethanone

C37H40Br2F2N10O3 — CID 165078575

IUPAC6-bromo-8-methyl-2-(oxan-4-yl)imidazo[1,2-a]pyrazine;5-bromo-3-methylpyrazin-2-amine;1-[6-(difluoromethyl)-2-pyridinyl]-2-[8-methyl-2-(oxan-4-yl)imidazo[1,2-a]pyrazin-6-yl]ethanone
SMILESCc1nc(Br)cn2cc(C3CCOCC3)nc12.Cc1nc(Br)cnc1N.Cc1nc(CC(=O)c2cccc(C(F)F)n2)cn2cc(C3CCOCC3)nc12
InChIInChI=1S/C20H20F2N4O2.C12H14BrN3O.C5H6BrN3/c1-12-20-25-17(13-5-7-28-8-6-13)11-26(20)10-14(23-12)9-18(27)15-3-2-4-16(24-15)19(21)22;1-8-12-15-10(9-2-4-17-5-3-9)6-16(12)7-11(13)14-8;1-3-5(7)8-2-4(6)9-3/h2-4,10-11,13,19H,5-9H2,1H3;6-7,9H,2-5H2,1H3;2H,1H3,(H2,7,8)
InChIKeyUSSMZGWTUQIYIR-UHFFFAOYSA-N
MW870.60 g/mol
LogP7.51
Rot. Bonds6

About 6-bromo-8-methyl-2-(oxan-4-yl)imidazo[1,2-a]pyrazine;5-bromo-3-methylpyrazin-2-amine;1-[6-(difluoromethyl)-2-pyridinyl]-2-[8-methyl-2-(oxan-4-yl)imidazo[1,2-a]pyrazin-6-yl]ethanone

6-bromo-8-methyl-2-(oxan-4-yl)imidazo[1,2-a]pyrazine;5-bromo-3-methylpyrazin-2-amine;1-[6-(difluoromethyl)-2-pyridinyl]-2-[8-methyl-2-(oxan-4-yl)imidazo[1,2-a]pyrazin-6-yl]ethanone (PubChem CID 165078575) has the molecular formula C37H40Br2F2N10O3 and a molecular weight of 870.60 g/mol. Its IUPAC name is 6-bromo-8-methyl-2-(oxan-4-yl)imidazo[1,2-a]pyrazine;5-bromo-3-methylpyrazin-2-amine;1-[6-(difluoromethyl)-2-pyridinyl]-2-[8-methyl-2-(oxan-4-yl)imidazo[1,2-a]pyrazin-6-yl]ethanone.

Molecular Properties

Compound Name6-bromo-8-methyl-2-(oxan-4-yl)imidazo[1,2-a]pyrazine;5-bromo-3-methylpyrazin-2-amine;1-[6-(difluoromethyl)-2-pyridinyl]-2-[8-methyl-2-(oxan-4-yl)imidazo[1,2-a]pyrazin-6-yl]ethanone
PubChem CID165078575
Molecular FormulaC37H40Br2F2N10O3
Molecular Weight870.60 g/mol
Exact Mass868.16
IUPAC Name6-bromo-8-methyl-2-(oxan-4-yl)imidazo[1,2-a]pyrazine;5-bromo-3-methylpyrazin-2-amine;1-[6-(difluoromethyl)-2-pyridinyl]-2-[8-methyl-2-(oxan-4-yl)imidazo[1,2-a]pyrazin-6-yl]ethanone
SMILESCc1nc(Br)cn2cc(C3CCOCC3)nc12.Cc1nc(Br)cnc1N.Cc1nc(CC(=O)c2cccc(C(F)F)n2)cn2cc(C3CCOCC3)nc12
InChIInChI=1S/C20H20F2N4O2.C12H14BrN3O.C5H6BrN3/c1-12-20-25-17(13-5-7-28-8-6-13)11-26(20)10-14(23-12)9-18(27)15-3-2-4-16(24-15)19(21)22;1-8-12-15-10(9-2-4-17-5-3-9)6-16(12)7-11(13)14-8;1-3-5(7)8-2-4(6)9-3/h2-4,10-11,13,19H,5-9H2,1H3;6-7,9H,2-5H2,1H3;2H,1H3,(H2,7,8)
InChIKeyUSSMZGWTUQIYIR-UHFFFAOYSA-N
XLogP7.51
TPSA160.60 Ų
H-Bond Donors1
H-Bond Acceptors13
Rotatable Bonds6
Heavy Atoms54
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500870.60
LogP ≤ 57.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1013

Analyze 6-bromo-8-methyl-2-(oxan-4-yl)imidazo[1,2-a]pyrazine;5-bromo-3-methylpyrazin-2-amine;1-[6-(difluoromethyl)-2-pyridinyl]-2-[8-methyl-2-(oxan-4-yl)imidazo[1,2-a]pyrazin-6-yl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-8-methyl-2-(oxan-4-yl)imidazo[1,2-a]pyrazine;5-bromo-3-methylpyrazin-2-amine;1-[6-(difluoromethyl)-2-pyridinyl]-2-[8-methyl-2-(oxan-4-yl)imidazo[1,2-a]pyrazin-6-yl]ethanone?
The IUPAC name of 6-bromo-8-methyl-2-(oxan-4-yl)imidazo[1,2-a]pyrazine;5-bromo-3-methylpyrazin-2-amine;1-[6-(difluoromethyl)-2-pyridinyl]-2-[8-methyl-2-(oxan-4-yl)imidazo[1,2-a]pyrazin-6-yl]ethanone (CID 165078575) is 6-bromo-8-methyl-2-(oxan-4-yl)imidazo[1,2-a]pyrazine;5-bromo-3-methylpyrazin-2-amine;1-[6-(difluoromethyl)-2-pyridinyl]-2-[8-methyl-2-(oxan-4-yl)imidazo[1,2-a]pyrazin-6-yl]ethanone.
What is the SMILES notation for 6-bromo-8-methyl-2-(oxan-4-yl)imidazo[1,2-a]pyrazine;5-bromo-3-methylpyrazin-2-amine;1-[6-(difluoromethyl)-2-pyridinyl]-2-[8-methyl-2-(oxan-4-yl)imidazo[1,2-a]pyrazin-6-yl]ethanone?
The canonical SMILES for 6-bromo-8-methyl-2-(oxan-4-yl)imidazo[1,2-a]pyrazine;5-bromo-3-methylpyrazin-2-amine;1-[6-(difluoromethyl)-2-pyridinyl]-2-[8-methyl-2-(oxan-4-yl)imidazo[1,2-a]pyrazin-6-yl]ethanone is Cc1nc(Br)cn2cc(C3CCOCC3)nc12.Cc1nc(Br)cnc1N.Cc1nc(CC(=O)c2cccc(C(F)F)n2)cn2cc(C3CCOCC3)nc12.
What is the InChIKey of 6-bromo-8-methyl-2-(oxan-4-yl)imidazo[1,2-a]pyrazine;5-bromo-3-methylpyrazin-2-amine;1-[6-(difluoromethyl)-2-pyridinyl]-2-[8-methyl-2-(oxan-4-yl)imidazo[1,2-a]pyrazin-6-yl]ethanone?
The InChIKey is USSMZGWTUQIYIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N4O2.C12H14BrN3O.C5H6BrN3/c1-12-20-25-17(13-5-7-28-8-6-13)11-26(20)10-14(23-12)9-18(27)15-3-2-4-16(24-15)19(21)22;1-8-12-15-10(9-2-4-17-5-3-9)6-16(12)7-11(13)14-8;1-3-5(7)8-2-4(6)9-3/h2-4,10-11,13,19H,5-9H2,1H3;6-7,9H,2-5H2,1H3;2H,1H3,(H2,7,8).
What are the key properties of 6-bromo-8-methyl-2-(oxan-4-yl)imidazo[1,2-a]pyrazine;5-bromo-3-methylpyrazin-2-amine;1-[6-(difluoromethyl)-2-pyridinyl]-2-[8-methyl-2-(oxan-4-yl)imidazo[1,2-a]pyrazin-6-yl]ethanone?
6-bromo-8-methyl-2-(oxan-4-yl)imidazo[1,2-a]pyrazine;5-bromo-3-methylpyrazin-2-amine;1-[6-(difluoromethyl)-2-pyridinyl]-2-[8-methyl-2-(oxan-4-yl)imidazo[1,2-a]pyrazin-6-yl]ethanone has a molecular weight of 870.60 g/mol, XLogP of 7.51, 6 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-8-methyl-2-(oxan-4-yl)imidazo[1,2-a]pyrazine;5-bromo-3-methylpyrazin-2-amine;1-[6-(difluoromethyl)-2-pyridinyl]-2-[8-methyl-2-(oxan-4-yl)imidazo[1,2-a]pyrazin-6-yl]ethanone is sourced from PubChem (CID 165078575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).