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

C44H45Br3Cl3F2N7O5 — CID 165057361

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

6-bromo-8-chloro-2-(oxan-4-yl)imidazo[1,2-a]pyridine;5-bromo-3-chloropyridin-2-amine;2-bromo-1-(oxan-4-yl)ethanone;2-[8-chloro-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(difluoromethyl)-2-pyridinyl]ethanone (PubChem CID 165057361) has the molecular formula C44H45Br3Cl3F2N7O5 and a molecular weight of 1135.95 g/mol. Its IUPAC name is 6-bromo-8-chloro-2-(oxan-4-yl)imidazo[1,2-a]pyridine;5-bromo-3-chloropyridin-2-amine;2-bromo-1-(oxan-4-yl)ethanone;2-[8-chloro-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(difluoromethyl)-2-pyridinyl]ethanone.

Molecular Properties

• Compound Name: 6-bromo-8-chloro-2-(oxan-4-yl)imidazo[1,2-a]pyridine;5-bromo-3-chloropyridin-2-amine;2-bromo-1-(oxan-4-yl)ethanone;2-[8-chloro-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(difluoromethyl)-2-pyridinyl]ethanone
• PubChem CID: 165057361
• Molecular Formula: C44H45Br3Cl3F2N7O5
• Molecular Weight: 1135.95 g/mol
• Exact Mass: 1131.01
• IUPAC Name: 6-bromo-8-chloro-2-(oxan-4-yl)imidazo[1,2-a]pyridine;5-bromo-3-chloropyridin-2-amine;2-bromo-1-(oxan-4-yl)ethanone;2-[8-chloro-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(difluoromethyl)-2-pyridinyl]ethanone
• SMILES: Clc1cc(Br)cn2cc(C3CCOCC3)nc12.Nc1ncc(Br)cc1Cl.O=C(CBr)C1CCOCC1.O=C(Cc1cc(Cl)c2nc(C3CCOCC3)cn2c1)c1cccc(C(F)F)n1
• InChI: InChI=1S/C20H18ClF2N3O2.C12H12BrClN2O.C7H11BrO2.C5H4BrClN2/c21-14-8-12(9-18(27)15-2-1-3-16(24-15)19(22)23)10-26-11-17(25-20(14)26)13-4-6-28-7-5-13;13-9-5-10(14)12-15-11(7-16(12)6-9)8-1-3-17-4-2-8;8-5-7(9)6-1-3-10-4-2-6;6-3-1-4(7)5(8)9-2-3/h1-3,8,10-11,13,19H,4-7,9H2;5-8H,1-4H2;6H,1-5H2;1-2H,(H2,8,9)
• InChIKey: QQHVGALLVKBTQG-UHFFFAOYSA-N
• XLogP: 11.74
• TPSA: 148.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 12
• Rotatable Bonds: 8
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1135.95
LogP ≤ 5	11.74
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 6-bromo-8-chloro-2-(oxan-4-yl)imidazo[1,2-a]pyridine;5-bromo-3-chloropyridin-2-amine;2-bromo-1-(oxan-4-yl)ethanone;2-[8-chloro-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(difluoromethyl)-2-pyridinyl]ethanone (CID 165057361) is 6-bromo-8-chloro-2-(oxan-4-yl)imidazo[1,2-a]pyridine;5-bromo-3-chloropyridin-2-amine;2-bromo-1-(oxan-4-yl)ethanone;2-[8-chloro-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-chloro-2-(oxan-4-yl)imidazo[1,2-a]pyridine;5-bromo-3-chloropyridin-2-amine;2-bromo-1-(oxan-4-yl)ethanone;2-[8-chloro-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(difluoromethyl)-2-pyridinyl]ethanone?

The canonical SMILES for 6-bromo-8-chloro-2-(oxan-4-yl)imidazo[1,2-a]pyridine;5-bromo-3-chloropyridin-2-amine;2-bromo-1-(oxan-4-yl)ethanone;2-[8-chloro-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(difluoromethyl)-2-pyridinyl]ethanone is Clc1cc(Br)cn2cc(C3CCOCC3)nc12.Nc1ncc(Br)cc1Cl.O=C(CBr)C1CCOCC1.O=C(Cc1cc(Cl)c2nc(C3CCOCC3)cn2c1)c1cccc(C(F)F)n1.

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

The InChIKey is QQHVGALLVKBTQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClF2N3O2.C12H12BrClN2O.C7H11BrO2.C5H4BrClN2/c21-14-8-12(9-18(27)15-2-1-3-16(24-15)19(22)23)10-26-11-17(25-20(14)26)13-4-6-28-7-5-13;13-9-5-10(14)12-15-11(7-16(12)6-9)8-1-3-17-4-2-8;8-5-7(9)6-1-3-10-4-2-6;6-3-1-4(7)5(8)9-2-3/h1-3,8,10-11,13,19H,4-7,9H2;5-8H,1-4H2;6H,1-5H2;1-2H,(H2,8,9).

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

6-bromo-8-chloro-2-(oxan-4-yl)imidazo[1,2-a]pyridine;5-bromo-3-chloropyridin-2-amine;2-bromo-1-(oxan-4-yl)ethanone;2-[8-chloro-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(difluoromethyl)-2-pyridinyl]ethanone has a molecular weight of 1135.95 g/mol, XLogP of 11.74, 8 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromo-8-chloro-2-(oxan-4-yl)imidazo[1,2-a]pyridine;5-bromo-3-chloropyridin-2-amine;2-bromo-1-(oxan-4-yl)ethanone;2-[8-chloro-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(difluoromethyl)-2-pyridinyl]ethanone is sourced from PubChem (CID 165057361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).