lithium;alumane;3-bromo-2-(difluoromethyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine;2-(difluoromethyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine;ethyl 6-bromoimidazo[1,2-a]pyrazine-2-carboxylate;ethyl 6-[3-(fluoromethyl)phenyl]imidazo[1,2-a]pyrazine-2-carboxylate;[6-[3-(fluoromethyl)phenyl]imidazo[1,2-a]pyrazin-2-yl]methanol;hydride;[3-(trifluoromethyl)phenyl]boronic acid;6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-2-carbaldehyde

C88H67AlBBr2F18LiN18O8 — CID 157115869

About lithium;alumane;3-bromo-2-(difluoromethyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine;2-(difluoromethyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine;ethyl 6-bromoimidazo[1,2-a]pyrazine-2-carboxylate;ethyl 6-[3-(fluoromethyl)phenyl]imidazo[1,2-a]pyrazine-2-carboxylate;[6-[3-(fluoromethyl)phenyl]imidazo[1,2-a]pyrazin-2-yl]methanol;hydride;[3-(trifluoromethyl)phenyl]boronic acid;6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-2-carbaldehyde

lithium;alumane;3-bromo-2-(difluoromethyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine;2-(difluoromethyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine;ethyl 6-bromoimidazo[1,2-a]pyrazine-2-carboxylate;ethyl 6-[3-(fluoromethyl)phenyl]imidazo[1,2-a]pyrazine-2-carboxylate;[6-[3-(fluoromethyl)phenyl]imidazo[1,2-a]pyrazin-2-yl]methanol;hydride;[3-(trifluoromethyl)phenyl]boronic acid;6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-2-carbaldehyde (PubChem CID 157115869) has the molecular formula C88H67AlBBr2F18LiN18O8 and a molecular weight of 2051.13 g/mol. Its IUPAC name is lithium;alumane;3-bromo-2-(difluoromethyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine;2-(difluoromethyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine;ethyl 6-bromoimidazo[1,2-a]pyrazine-2-carboxylate;ethyl 6-[3-(fluoromethyl)phenyl]imidazo[1,2-a]pyrazine-2-carboxylate;[6-[3-(fluoromethyl)phenyl]imidazo[1,2-a]pyrazin-2-yl]methanol;hydride;[3-(trifluoromethyl)phenyl]boronic acid;6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-2-carbaldehyde.

Molecular Properties

• Compound Name: lithium;alumane;3-bromo-2-(difluoromethyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine;2-(difluoromethyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine;ethyl 6-bromoimidazo[1,2-a]pyrazine-2-carboxylate;ethyl 6-[3-(fluoromethyl)phenyl]imidazo[1,2-a]pyrazine-2-carboxylate;[6-[3-(fluoromethyl)phenyl]imidazo[1,2-a]pyrazin-2-yl]methanol;hydride;[3-(trifluoromethyl)phenyl]boronic acid;6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-2-carbaldehyde
• PubChem CID: 157115869
• Molecular Formula: C88H67AlBBr2F18LiN18O8
• Molecular Weight: 2051.13 g/mol
• Exact Mass: 2048.35
• IUPAC Name: lithium;alumane;3-bromo-2-(difluoromethyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine;2-(difluoromethyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine;ethyl 6-bromoimidazo[1,2-a]pyrazine-2-carboxylate;ethyl 6-[3-(fluoromethyl)phenyl]imidazo[1,2-a]pyrazine-2-carboxylate;[6-[3-(fluoromethyl)phenyl]imidazo[1,2-a]pyrazin-2-yl]methanol;hydride;[3-(trifluoromethyl)phenyl]boronic acid;6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-2-carbaldehyde
• SMILES: CCOC(=O)c1cn2cc(-c3cccc(CF)c3)ncc2n1.CCOC(=O)c1cn2cc(Br)ncc2n1.FC(F)c1cn2cc(-c3cccc(C(F)(F)F)c3)ncc2n1.FC(F)c1nc2cnc(-c3cccc(C(F)(F)F)c3)cn2c1Br.O=Cc1cn2cc(-c3cccc(C(F)(F)F)c3)ncc2n1.OB(O)c1cccc(C(F)(F)F)c1.OCc1cn2cc(-c3cccc(CF)c3)ncc2n1.[AlH3].[H-].[Li+]
• InChI: InChI=1S/C16H14FN3O2.C14H7BrF5N3.C14H8F5N3.C14H8F3N3O.C14H12FN3O.C9H8BrN3O2.C7H6BF3O2.Al.Li.4H/c1-2-22-16(21)14-10-20-9-13(18-8-15(20)19-14)12-5-3-4-11(6-12)7-17;15-12-11(13(16)17)22-10-5-21-9(6-23(10)12)7-2-1-3-8(4-7)14(18,19)20;15-13(16)11-7-22-6-10(20-5-12(22)21-11)8-2-1-3-9(4-8)14(17,18)19;15-14(16,17)10-3-1-2-9(4-10)12-7-20-6-11(8-21)19-13(20)5-18-12;15-5-10-2-1-3-11(4-10)13-8-18-7-12(9-19)17-14(18)6-16-13;1-2-15-9(14)6-4-13-5-7(10)11-3-8(13)12-6;9-7(10,11)5-2-1-3-6(4-5)8(12)13;;;;;;/h3-6,8-10H,2,7H2,1H3;1-6,13H;1-7,13H;1-8H;1-4,6-8,19H,5,9H2;3-5H,2H2,1H3;1-4,12-13H;;;;;;/q;;;;;;;;+1;;;;-1
• InChIKey: RUBULUDXINFLCD-UHFFFAOYSA-N
• XLogP: 16.08
• TPSA: 311.50 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 26
• Rotatable Bonds: 16
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2051.13
LogP ≤ 5	16.08
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of lithium;alumane;3-bromo-2-(difluoromethyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine;2-(difluoromethyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine;ethyl 6-bromoimidazo[1,2-a]pyrazine-2-carboxylate;ethyl 6-[3-(fluoromethyl)phenyl]imidazo[1,2-a]pyrazine-2-carboxylate;[6-[3-(fluoromethyl)phenyl]imidazo[1,2-a]pyrazin-2-yl]methanol;hydride;[3-(trifluoromethyl)phenyl]boronic acid;6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-2-carbaldehyde?

The IUPAC name of lithium;alumane;3-bromo-2-(difluoromethyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine;2-(difluoromethyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine;ethyl 6-bromoimidazo[1,2-a]pyrazine-2-carboxylate;ethyl 6-[3-(fluoromethyl)phenyl]imidazo[1,2-a]pyrazine-2-carboxylate;[6-[3-(fluoromethyl)phenyl]imidazo[1,2-a]pyrazin-2-yl]methanol;hydride;[3-(trifluoromethyl)phenyl]boronic acid;6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-2-carbaldehyde (CID 157115869) is lithium;alumane;3-bromo-2-(difluoromethyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine;2-(difluoromethyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine;ethyl 6-bromoimidazo[1,2-a]pyrazine-2-carboxylate;ethyl 6-[3-(fluoromethyl)phenyl]imidazo[1,2-a]pyrazine-2-carboxylate;[6-[3-(fluoromethyl)phenyl]imidazo[1,2-a]pyrazin-2-yl]methanol;hydride;[3-(trifluoromethyl)phenyl]boronic acid;6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-2-carbaldehyde.

What is the SMILES notation for lithium;alumane;3-bromo-2-(difluoromethyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine;2-(difluoromethyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine;ethyl 6-bromoimidazo[1,2-a]pyrazine-2-carboxylate;ethyl 6-[3-(fluoromethyl)phenyl]imidazo[1,2-a]pyrazine-2-carboxylate;[6-[3-(fluoromethyl)phenyl]imidazo[1,2-a]pyrazin-2-yl]methanol;hydride;[3-(trifluoromethyl)phenyl]boronic acid;6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-2-carbaldehyde?

The canonical SMILES for lithium;alumane;3-bromo-2-(difluoromethyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine;2-(difluoromethyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine;ethyl 6-bromoimidazo[1,2-a]pyrazine-2-carboxylate;ethyl 6-[3-(fluoromethyl)phenyl]imidazo[1,2-a]pyrazine-2-carboxylate;[6-[3-(fluoromethyl)phenyl]imidazo[1,2-a]pyrazin-2-yl]methanol;hydride;[3-(trifluoromethyl)phenyl]boronic acid;6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-2-carbaldehyde is CCOC(=O)c1cn2cc(-c3cccc(CF)c3)ncc2n1.CCOC(=O)c1cn2cc(Br)ncc2n1.FC(F)c1cn2cc(-c3cccc(C(F)(F)F)c3)ncc2n1.FC(F)c1nc2cnc(-c3cccc(C(F)(F)F)c3)cn2c1Br.O=Cc1cn2cc(-c3cccc(C(F)(F)F)c3)ncc2n1.OB(O)c1cccc(C(F)(F)F)c1.OCc1cn2cc(-c3cccc(CF)c3)ncc2n1.[AlH3].[H-].[Li+].

What is the InChIKey of lithium;alumane;3-bromo-2-(difluoromethyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine;2-(difluoromethyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine;ethyl 6-bromoimidazo[1,2-a]pyrazine-2-carboxylate;ethyl 6-[3-(fluoromethyl)phenyl]imidazo[1,2-a]pyrazine-2-carboxylate;[6-[3-(fluoromethyl)phenyl]imidazo[1,2-a]pyrazin-2-yl]methanol;hydride;[3-(trifluoromethyl)phenyl]boronic acid;6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-2-carbaldehyde?

The InChIKey is RUBULUDXINFLCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O2.C14H7BrF5N3.C14H8F5N3.C14H8F3N3O.C14H12FN3O.C9H8BrN3O2.C7H6BF3O2.Al.Li.4H/c1-2-22-16(21)14-10-20-9-13(18-8-15(20)19-14)12-5-3-4-11(6-12)7-17;15-12-11(13(16)17)22-10-5-21-9(6-23(10)12)7-2-1-3-8(4-7)14(18,19)20;15-13(16)11-7-22-6-10(20-5-12(22)21-11)8-2-1-3-9(4-8)14(17,18)19;15-14(16,17)10-3-1-2-9(4-10)12-7-20-6-11(8-21)19-13(20)5-18-12;15-5-10-2-1-3-11(4-10)13-8-18-7-12(9-19)17-14(18)6-16-13;1-2-15-9(14)6-4-13-5-7(10)11-3-8(13)12-6;9-7(10,11)5-2-1-3-6(4-5)8(12)13;;;;;;/h3-6,8-10H,2,7H2,1H3;1-6,13H;1-7,13H;1-8H;1-4,6-8,19H,5,9H2;3-5H,2H2,1H3;1-4,12-13H;;;;;;/q;;;;;;;;+1;;;;-1.

What are the key properties of lithium;alumane;3-bromo-2-(difluoromethyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine;2-(difluoromethyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine;ethyl 6-bromoimidazo[1,2-a]pyrazine-2-carboxylate;ethyl 6-[3-(fluoromethyl)phenyl]imidazo[1,2-a]pyrazine-2-carboxylate;[6-[3-(fluoromethyl)phenyl]imidazo[1,2-a]pyrazin-2-yl]methanol;hydride;[3-(trifluoromethyl)phenyl]boronic acid;6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-2-carbaldehyde?

lithium;alumane;3-bromo-2-(difluoromethyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine;2-(difluoromethyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine;ethyl 6-bromoimidazo[1,2-a]pyrazine-2-carboxylate;ethyl 6-[3-(fluoromethyl)phenyl]imidazo[1,2-a]pyrazine-2-carboxylate;[6-[3-(fluoromethyl)phenyl]imidazo[1,2-a]pyrazin-2-yl]methanol;hydride;[3-(trifluoromethyl)phenyl]boronic acid;6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-2-carbaldehyde has a molecular weight of 2051.13 g/mol, XLogP of 16.08, 16 rotatable bonds, 3 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;alumane;3-bromo-2-(difluoromethyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine;2-(difluoromethyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine;ethyl 6-bromoimidazo[1,2-a]pyrazine-2-carboxylate;ethyl 6-[3-(fluoromethyl)phenyl]imidazo[1,2-a]pyrazine-2-carboxylate;[6-[3-(fluoromethyl)phenyl]imidazo[1,2-a]pyrazin-2-yl]methanol;hydride;[3-(trifluoromethyl)phenyl]boronic acid;6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-2-carbaldehyde is sourced from PubChem (CID 157115869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).