6-bromo-8-(difluoromethoxy)-2-(oxan-4-yl)imidazo[1,2-a]pyridine;5-bromo-3-(difluoromethoxy)pyridin-2-amine;2-bromo-1-(oxan-4-yl)ethanone;2-[8-(difluoromethoxy)-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(difluoromethyl)-2-pyridinyl]ethanone

C47H48Br3F8N7O8 — CID 165092776

About 6-bromo-8-(difluoromethoxy)-2-(oxan-4-yl)imidazo[1,2-a]pyridine;5-bromo-3-(difluoromethoxy)pyridin-2-amine;2-bromo-1-(oxan-4-yl)ethanone;2-[8-(difluoromethoxy)-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(difluoromethyl)-2-pyridinyl]ethanone

6-bromo-8-(difluoromethoxy)-2-(oxan-4-yl)imidazo[1,2-a]pyridine;5-bromo-3-(difluoromethoxy)pyridin-2-amine;2-bromo-1-(oxan-4-yl)ethanone;2-[8-(difluoromethoxy)-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(difluoromethyl)-2-pyridinyl]ethanone (PubChem CID 165092776) has the molecular formula C47H48Br3F8N7O8 and a molecular weight of 1230.64 g/mol. Its IUPAC name is 6-bromo-8-(difluoromethoxy)-2-(oxan-4-yl)imidazo[1,2-a]pyridine;5-bromo-3-(difluoromethoxy)pyridin-2-amine;2-bromo-1-(oxan-4-yl)ethanone;2-[8-(difluoromethoxy)-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(difluoromethyl)-2-pyridinyl]ethanone.

Molecular Properties

• Compound Name: 6-bromo-8-(difluoromethoxy)-2-(oxan-4-yl)imidazo[1,2-a]pyridine;5-bromo-3-(difluoromethoxy)pyridin-2-amine;2-bromo-1-(oxan-4-yl)ethanone;2-[8-(difluoromethoxy)-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(difluoromethyl)-2-pyridinyl]ethanone
• PubChem CID: 165092776
• Molecular Formula: C47H48Br3F8N7O8
• Molecular Weight: 1230.64 g/mol
• Exact Mass: 1227.10
• IUPAC Name: 6-bromo-8-(difluoromethoxy)-2-(oxan-4-yl)imidazo[1,2-a]pyridine;5-bromo-3-(difluoromethoxy)pyridin-2-amine;2-bromo-1-(oxan-4-yl)ethanone;2-[8-(difluoromethoxy)-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(difluoromethyl)-2-pyridinyl]ethanone
• SMILES: FC(F)Oc1cc(Br)cn2cc(C3CCOCC3)nc12.Nc1ncc(Br)cc1OC(F)F.O=C(CBr)C1CCOCC1.O=C(Cc1cc(OC(F)F)c2nc(C3CCOCC3)cn2c1)c1cccc(C(F)F)n1
• InChI: InChI=1S/C21H19F4N3O3.C13H13BrF2N2O2.C7H11BrO2.C6H5BrF2N2O/c22-19(23)15-3-1-2-14(26-15)17(29)8-12-9-18(31-21(24)25)20-27-16(11-28(20)10-12)13-4-6-30-7-5-13;14-9-5-11(20-13(15)16)12-17-10(7-18(12)6-9)8-1-3-19-4-2-8;8-5-7(9)6-1-3-10-4-2-6;7-3-1-4(12-6(8)9)5(10)11-2-3/h1-3,9-11,13,19,21H,4-8H2;5-8,13H,1-4H2;6H,1-5H2;1-2,6H,(H2,10,11)
• InChIKey: WZMHCRMSTWJQKS-UHFFFAOYSA-N
• XLogP: 11.58
• TPSA: 175.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 15
• Rotatable Bonds: 14
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1230.64
LogP ≤ 5	11.58
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-bromo-8-(difluoromethoxy)-2-(oxan-4-yl)imidazo[1,2-a]pyridine;5-bromo-3-(difluoromethoxy)pyridin-2-amine;2-bromo-1-(oxan-4-yl)ethanone;2-[8-(difluoromethoxy)-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(difluoromethyl)-2-pyridinyl]ethanone?

The IUPAC name of 6-bromo-8-(difluoromethoxy)-2-(oxan-4-yl)imidazo[1,2-a]pyridine;5-bromo-3-(difluoromethoxy)pyridin-2-amine;2-bromo-1-(oxan-4-yl)ethanone;2-[8-(difluoromethoxy)-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(difluoromethyl)-2-pyridinyl]ethanone (CID 165092776) is 6-bromo-8-(difluoromethoxy)-2-(oxan-4-yl)imidazo[1,2-a]pyridine;5-bromo-3-(difluoromethoxy)pyridin-2-amine;2-bromo-1-(oxan-4-yl)ethanone;2-[8-(difluoromethoxy)-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(difluoromethyl)-2-pyridinyl]ethanone.

What is the SMILES notation for 6-bromo-8-(difluoromethoxy)-2-(oxan-4-yl)imidazo[1,2-a]pyridine;5-bromo-3-(difluoromethoxy)pyridin-2-amine;2-bromo-1-(oxan-4-yl)ethanone;2-[8-(difluoromethoxy)-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(difluoromethyl)-2-pyridinyl]ethanone?

The canonical SMILES for 6-bromo-8-(difluoromethoxy)-2-(oxan-4-yl)imidazo[1,2-a]pyridine;5-bromo-3-(difluoromethoxy)pyridin-2-amine;2-bromo-1-(oxan-4-yl)ethanone;2-[8-(difluoromethoxy)-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(difluoromethyl)-2-pyridinyl]ethanone is FC(F)Oc1cc(Br)cn2cc(C3CCOCC3)nc12.Nc1ncc(Br)cc1OC(F)F.O=C(CBr)C1CCOCC1.O=C(Cc1cc(OC(F)F)c2nc(C3CCOCC3)cn2c1)c1cccc(C(F)F)n1.

What is the InChIKey of 6-bromo-8-(difluoromethoxy)-2-(oxan-4-yl)imidazo[1,2-a]pyridine;5-bromo-3-(difluoromethoxy)pyridin-2-amine;2-bromo-1-(oxan-4-yl)ethanone;2-[8-(difluoromethoxy)-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(difluoromethyl)-2-pyridinyl]ethanone?

The InChIKey is WZMHCRMSTWJQKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F4N3O3.C13H13BrF2N2O2.C7H11BrO2.C6H5BrF2N2O/c22-19(23)15-3-1-2-14(26-15)17(29)8-12-9-18(31-21(24)25)20-27-16(11-28(20)10-12)13-4-6-30-7-5-13;14-9-5-11(20-13(15)16)12-17-10(7-18(12)6-9)8-1-3-19-4-2-8;8-5-7(9)6-1-3-10-4-2-6;7-3-1-4(12-6(8)9)5(10)11-2-3/h1-3,9-11,13,19,21H,4-8H2;5-8,13H,1-4H2;6H,1-5H2;1-2,6H,(H2,10,11).

What are the key properties of 6-bromo-8-(difluoromethoxy)-2-(oxan-4-yl)imidazo[1,2-a]pyridine;5-bromo-3-(difluoromethoxy)pyridin-2-amine;2-bromo-1-(oxan-4-yl)ethanone;2-[8-(difluoromethoxy)-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(difluoromethyl)-2-pyridinyl]ethanone?

6-bromo-8-(difluoromethoxy)-2-(oxan-4-yl)imidazo[1,2-a]pyridine;5-bromo-3-(difluoromethoxy)pyridin-2-amine;2-bromo-1-(oxan-4-yl)ethanone;2-[8-(difluoromethoxy)-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(difluoromethyl)-2-pyridinyl]ethanone has a molecular weight of 1230.64 g/mol, XLogP of 11.58, 14 rotatable bonds, 1 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromo-8-(difluoromethoxy)-2-(oxan-4-yl)imidazo[1,2-a]pyridine;5-bromo-3-(difluoromethoxy)pyridin-2-amine;2-bromo-1-(oxan-4-yl)ethanone;2-[8-(difluoromethoxy)-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(difluoromethyl)-2-pyridinyl]ethanone is sourced from PubChem (CID 165092776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).