2-bromo-1-(oxan-4-yl)ethanone;6-bromo-2-(oxan-4-yl)imidazo[1,2-a]pyrazine;5-bromopyrazin-2-amine;6-(difluoromethyl)pyridine-2-carboxamide;1-[6-(difluoromethyl)-2-pyridinyl]-2-[2-(oxan-4-yl)imidazo[1,2-a]pyrazin-6-yl]ethanone

C48H51Br3F4N12O6 — CID 165094478

About 2-bromo-1-(oxan-4-yl)ethanone;6-bromo-2-(oxan-4-yl)imidazo[1,2-a]pyrazine;5-bromopyrazin-2-amine;6-(difluoromethyl)pyridine-2-carboxamide;1-[6-(difluoromethyl)-2-pyridinyl]-2-[2-(oxan-4-yl)imidazo[1,2-a]pyrazin-6-yl]ethanone

2-bromo-1-(oxan-4-yl)ethanone;6-bromo-2-(oxan-4-yl)imidazo[1,2-a]pyrazine;5-bromopyrazin-2-amine;6-(difluoromethyl)pyridine-2-carboxamide;1-[6-(difluoromethyl)-2-pyridinyl]-2-[2-(oxan-4-yl)imidazo[1,2-a]pyrazin-6-yl]ethanone (PubChem CID 165094478) has the molecular formula C48H51Br3F4N12O6 and a molecular weight of 1207.72 g/mol. Its IUPAC name is 2-bromo-1-(oxan-4-yl)ethanone;6-bromo-2-(oxan-4-yl)imidazo[1,2-a]pyrazine;5-bromopyrazin-2-amine;6-(difluoromethyl)pyridine-2-carboxamide;1-[6-(difluoromethyl)-2-pyridinyl]-2-[2-(oxan-4-yl)imidazo[1,2-a]pyrazin-6-yl]ethanone.

Molecular Properties

• Compound Name: 2-bromo-1-(oxan-4-yl)ethanone;6-bromo-2-(oxan-4-yl)imidazo[1,2-a]pyrazine;5-bromopyrazin-2-amine;6-(difluoromethyl)pyridine-2-carboxamide;1-[6-(difluoromethyl)-2-pyridinyl]-2-[2-(oxan-4-yl)imidazo[1,2-a]pyrazin-6-yl]ethanone
• PubChem CID: 165094478
• Molecular Formula: C48H51Br3F4N12O6
• Molecular Weight: 1207.72 g/mol
• Exact Mass: 1204.15
• IUPAC Name: 2-bromo-1-(oxan-4-yl)ethanone;6-bromo-2-(oxan-4-yl)imidazo[1,2-a]pyrazine;5-bromopyrazin-2-amine;6-(difluoromethyl)pyridine-2-carboxamide;1-[6-(difluoromethyl)-2-pyridinyl]-2-[2-(oxan-4-yl)imidazo[1,2-a]pyrazin-6-yl]ethanone
• SMILES: Brc1cn2cc(C3CCOCC3)nc2cn1.NC(=O)c1cccc(C(F)F)n1.Nc1cnc(Br)cn1.O=C(CBr)C1CCOCC1.O=C(Cc1cn2cc(C3CCOCC3)nc2cn1)c1cccc(C(F)F)n1
• InChI: InChI=1S/C19H18F2N4O2.C11H12BrN3O.C7H11BrO2.C7H6F2N2O.C4H4BrN3/c20-19(21)15-3-1-2-14(23-15)17(26)8-13-10-25-11-16(24-18(25)9-22-13)12-4-6-27-7-5-12;12-10-7-15-6-9(14-11(15)5-13-10)8-1-3-16-4-2-8;8-5-7(9)6-1-3-10-4-2-6;8-6(9)4-2-1-3-5(11-4)7(10)12;5-3-1-8-4(6)2-7-3/h1-3,9-12,19H,4-8H2;5-8H,1-4H2;6H,1-5H2;1-3,6H,(H2,10,12);1-2H,(H2,6,8)
• InChIKey: XGLGYRYDMBXYPM-UHFFFAOYSA-N
• XLogP: 9.08
• TPSA: 242.88 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 17
• Rotatable Bonds: 10
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1207.72
LogP ≤ 5	9.08
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(oxan-4-yl)ethanone;6-bromo-2-(oxan-4-yl)imidazo[1,2-a]pyrazine;5-bromopyrazin-2-amine;6-(difluoromethyl)pyridine-2-carboxamide;1-[6-(difluoromethyl)-2-pyridinyl]-2-[2-(oxan-4-yl)imidazo[1,2-a]pyrazin-6-yl]ethanone?

The IUPAC name of 2-bromo-1-(oxan-4-yl)ethanone;6-bromo-2-(oxan-4-yl)imidazo[1,2-a]pyrazine;5-bromopyrazin-2-amine;6-(difluoromethyl)pyridine-2-carboxamide;1-[6-(difluoromethyl)-2-pyridinyl]-2-[2-(oxan-4-yl)imidazo[1,2-a]pyrazin-6-yl]ethanone (CID 165094478) is 2-bromo-1-(oxan-4-yl)ethanone;6-bromo-2-(oxan-4-yl)imidazo[1,2-a]pyrazine;5-bromopyrazin-2-amine;6-(difluoromethyl)pyridine-2-carboxamide;1-[6-(difluoromethyl)-2-pyridinyl]-2-[2-(oxan-4-yl)imidazo[1,2-a]pyrazin-6-yl]ethanone.

What is the SMILES notation for 2-bromo-1-(oxan-4-yl)ethanone;6-bromo-2-(oxan-4-yl)imidazo[1,2-a]pyrazine;5-bromopyrazin-2-amine;6-(difluoromethyl)pyridine-2-carboxamide;1-[6-(difluoromethyl)-2-pyridinyl]-2-[2-(oxan-4-yl)imidazo[1,2-a]pyrazin-6-yl]ethanone?

The canonical SMILES for 2-bromo-1-(oxan-4-yl)ethanone;6-bromo-2-(oxan-4-yl)imidazo[1,2-a]pyrazine;5-bromopyrazin-2-amine;6-(difluoromethyl)pyridine-2-carboxamide;1-[6-(difluoromethyl)-2-pyridinyl]-2-[2-(oxan-4-yl)imidazo[1,2-a]pyrazin-6-yl]ethanone is Brc1cn2cc(C3CCOCC3)nc2cn1.NC(=O)c1cccc(C(F)F)n1.Nc1cnc(Br)cn1.O=C(CBr)C1CCOCC1.O=C(Cc1cn2cc(C3CCOCC3)nc2cn1)c1cccc(C(F)F)n1.

What is the InChIKey of 2-bromo-1-(oxan-4-yl)ethanone;6-bromo-2-(oxan-4-yl)imidazo[1,2-a]pyrazine;5-bromopyrazin-2-amine;6-(difluoromethyl)pyridine-2-carboxamide;1-[6-(difluoromethyl)-2-pyridinyl]-2-[2-(oxan-4-yl)imidazo[1,2-a]pyrazin-6-yl]ethanone?

The InChIKey is XGLGYRYDMBXYPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N4O2.C11H12BrN3O.C7H11BrO2.C7H6F2N2O.C4H4BrN3/c20-19(21)15-3-1-2-14(23-15)17(26)8-13-10-25-11-16(24-18(25)9-22-13)12-4-6-27-7-5-12;12-10-7-15-6-9(14-11(15)5-13-10)8-1-3-16-4-2-8;8-5-7(9)6-1-3-10-4-2-6;8-6(9)4-2-1-3-5(11-4)7(10)12;5-3-1-8-4(6)2-7-3/h1-3,9-12,19H,4-8H2;5-8H,1-4H2;6H,1-5H2;1-3,6H,(H2,10,12);1-2H,(H2,6,8).

What are the key properties of 2-bromo-1-(oxan-4-yl)ethanone;6-bromo-2-(oxan-4-yl)imidazo[1,2-a]pyrazine;5-bromopyrazin-2-amine;6-(difluoromethyl)pyridine-2-carboxamide;1-[6-(difluoromethyl)-2-pyridinyl]-2-[2-(oxan-4-yl)imidazo[1,2-a]pyrazin-6-yl]ethanone?

2-bromo-1-(oxan-4-yl)ethanone;6-bromo-2-(oxan-4-yl)imidazo[1,2-a]pyrazine;5-bromopyrazin-2-amine;6-(difluoromethyl)pyridine-2-carboxamide;1-[6-(difluoromethyl)-2-pyridinyl]-2-[2-(oxan-4-yl)imidazo[1,2-a]pyrazin-6-yl]ethanone has a molecular weight of 1207.72 g/mol, XLogP of 9.08, 10 rotatable bonds, 2 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromo-1-(oxan-4-yl)ethanone;6-bromo-2-(oxan-4-yl)imidazo[1,2-a]pyrazine;5-bromopyrazin-2-amine;6-(difluoromethyl)pyridine-2-carboxamide;1-[6-(difluoromethyl)-2-pyridinyl]-2-[2-(oxan-4-yl)imidazo[1,2-a]pyrazin-6-yl]ethanone is sourced from PubChem (CID 165094478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).