lithium;alumane;8-bromo-1-ethyl-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]imidazo[1,5-c]pyrimidine;[8-bromo-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]imidazo[1,5-c]pyrimidin-1-yl]methanol;carbon dioxide;(2,4-dimethylpyrimidin-5-yl)boronic acid;[8-(2,4-dimethylpyrimidin-5-yl)-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]imidazo[1,5-c]pyrimidin-1-yl]methanol;[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]imidazo[1,5-c]pyrimidin-1-yl]methanol;hydride

C82H83AlBBr2F4LiN16O11 — CID 157287596

About lithium;alumane;8-bromo-1-ethyl-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]imidazo[1,5-c]pyrimidine;[8-bromo-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]imidazo[1,5-c]pyrimidin-1-yl]methanol;carbon dioxide;(2,4-dimethylpyrimidin-5-yl)boronic acid;[8-(2,4-dimethylpyrimidin-5-yl)-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]imidazo[1,5-c]pyrimidin-1-yl]methanol;[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]imidazo[1,5-c]pyrimidin-1-yl]methanol;hydride

lithium;alumane;8-bromo-1-ethyl-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]imidazo[1,5-c]pyrimidine;[8-bromo-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]imidazo[1,5-c]pyrimidin-1-yl]methanol;carbon dioxide;(2,4-dimethylpyrimidin-5-yl)boronic acid;[8-(2,4-dimethylpyrimidin-5-yl)-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]imidazo[1,5-c]pyrimidin-1-yl]methanol;[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]imidazo[1,5-c]pyrimidin-1-yl]methanol;hydride (PubChem CID 157287596) has the molecular formula C82H83AlBBr2F4LiN16O11 and a molecular weight of 1749.20 g/mol. Its IUPAC name is lithium;alumane;8-bromo-1-ethyl-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]imidazo[1,5-c]pyrimidine;[8-bromo-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]imidazo[1,5-c]pyrimidin-1-yl]methanol;carbon dioxide;(2,4-dimethylpyrimidin-5-yl)boronic acid;[8-(2,4-dimethylpyrimidin-5-yl)-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]imidazo[1,5-c]pyrimidin-1-yl]methanol;[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]imidazo[1,5-c]pyrimidin-1-yl]methanol;hydride.

Molecular Properties

• Compound Name: lithium;alumane;8-bromo-1-ethyl-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]imidazo[1,5-c]pyrimidine;[8-bromo-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]imidazo[1,5-c]pyrimidin-1-yl]methanol;carbon dioxide;(2,4-dimethylpyrimidin-5-yl)boronic acid;[8-(2,4-dimethylpyrimidin-5-yl)-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]imidazo[1,5-c]pyrimidin-1-yl]methanol;[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]imidazo[1,5-c]pyrimidin-1-yl]methanol;hydride
• PubChem CID: 157287596
• Molecular Formula: C82H83AlBBr2F4LiN16O11
• Molecular Weight: 1749.20 g/mol
• Exact Mass: 1746.48
• IUPAC Name: lithium;alumane;8-bromo-1-ethyl-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]imidazo[1,5-c]pyrimidine;[8-bromo-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]imidazo[1,5-c]pyrimidin-1-yl]methanol;carbon dioxide;(2,4-dimethylpyrimidin-5-yl)boronic acid;[8-(2,4-dimethylpyrimidin-5-yl)-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]imidazo[1,5-c]pyrimidin-1-yl]methanol;[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]imidazo[1,5-c]pyrimidin-1-yl]methanol;hydride
• SMILES: CCc1ncn2c(CCc3c(F)ccc4c3CCO4)ncc(Br)c12.Cc1ncc(-c2cnc(CCc3c(F)ccc4c3CCO4)n3cnc(CO)c23)c(C)n1.Cc1ncc(B(O)O)c(C)n1.O=C=O.OCc1ncn2c(CCc3c(F)ccc4c3CCO4)ncc(Br)c12.OCc1ncn2c(CCc3c(F)ccc4c3CCO4)nccc12.[AlH3].[H-].[Li+]
• InChI: InChI=1S/C23H22FN5O2.C18H17BrFN3O.C17H15BrFN3O2.C17H16FN3O2.C6H9BN2O2.CO2.Al.Li.4H/c1-13-17(9-25-14(2)28-13)18-10-26-22(29-12-27-20(11-30)23(18)29)6-3-15-16-7-8-31-21(16)5-4-19(15)24;1-2-15-18-13(19)9-21-17(23(18)10-22-15)6-3-11-12-7-8-24-16(12)5-4-14(11)20;18-12-7-20-16(22-9-21-14(8-23)17(12)22)4-1-10-11-5-6-24-15(11)3-2-13(10)19;18-13-2-3-16-12(6-8-23-16)11(13)1-4-17-19-7-5-15-14(9-22)20-10-21(15)17;1-4-6(7(10)11)3-8-5(2)9-4;2-1-3;;;;;;/h4-5,9-10,12,30H,3,6-8,11H2,1-2H3;4-5,9-10H,2-3,6-8H2,1H3;2-3,7,9,23H,1,4-6,8H2;2-3,5,7,10,22H,1,4,6,8-9H2;3,10-11H,1-2H3;;;;;;;/q;;;;;;;+1;;;;-1
• InChIKey: SDBUISRNDLKYIS-UHFFFAOYSA-N
• XLogP: 6.11
• TPSA: 344.53 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 27
• Rotatable Bonds: 18
• Heavy Atoms: 118
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1749.20
LogP ≤ 5	6.11
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of lithium;alumane;8-bromo-1-ethyl-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]imidazo[1,5-c]pyrimidine;[8-bromo-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]imidazo[1,5-c]pyrimidin-1-yl]methanol;carbon dioxide;(2,4-dimethylpyrimidin-5-yl)boronic acid;[8-(2,4-dimethylpyrimidin-5-yl)-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]imidazo[1,5-c]pyrimidin-1-yl]methanol;[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]imidazo[1,5-c]pyrimidin-1-yl]methanol;hydride?

The IUPAC name of lithium;alumane;8-bromo-1-ethyl-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]imidazo[1,5-c]pyrimidine;[8-bromo-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]imidazo[1,5-c]pyrimidin-1-yl]methanol;carbon dioxide;(2,4-dimethylpyrimidin-5-yl)boronic acid;[8-(2,4-dimethylpyrimidin-5-yl)-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]imidazo[1,5-c]pyrimidin-1-yl]methanol;[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]imidazo[1,5-c]pyrimidin-1-yl]methanol;hydride (CID 157287596) is lithium;alumane;8-bromo-1-ethyl-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]imidazo[1,5-c]pyrimidine;[8-bromo-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]imidazo[1,5-c]pyrimidin-1-yl]methanol;carbon dioxide;(2,4-dimethylpyrimidin-5-yl)boronic acid;[8-(2,4-dimethylpyrimidin-5-yl)-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]imidazo[1,5-c]pyrimidin-1-yl]methanol;[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]imidazo[1,5-c]pyrimidin-1-yl]methanol;hydride.

What is the SMILES notation for lithium;alumane;8-bromo-1-ethyl-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]imidazo[1,5-c]pyrimidine;[8-bromo-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]imidazo[1,5-c]pyrimidin-1-yl]methanol;carbon dioxide;(2,4-dimethylpyrimidin-5-yl)boronic acid;[8-(2,4-dimethylpyrimidin-5-yl)-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]imidazo[1,5-c]pyrimidin-1-yl]methanol;[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]imidazo[1,5-c]pyrimidin-1-yl]methanol;hydride?

The canonical SMILES for lithium;alumane;8-bromo-1-ethyl-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]imidazo[1,5-c]pyrimidine;[8-bromo-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]imidazo[1,5-c]pyrimidin-1-yl]methanol;carbon dioxide;(2,4-dimethylpyrimidin-5-yl)boronic acid;[8-(2,4-dimethylpyrimidin-5-yl)-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]imidazo[1,5-c]pyrimidin-1-yl]methanol;[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]imidazo[1,5-c]pyrimidin-1-yl]methanol;hydride is CCc1ncn2c(CCc3c(F)ccc4c3CCO4)ncc(Br)c12.Cc1ncc(-c2cnc(CCc3c(F)ccc4c3CCO4)n3cnc(CO)c23)c(C)n1.Cc1ncc(B(O)O)c(C)n1.O=C=O.OCc1ncn2c(CCc3c(F)ccc4c3CCO4)ncc(Br)c12.OCc1ncn2c(CCc3c(F)ccc4c3CCO4)nccc12.[AlH3].[H-].[Li+].

What is the InChIKey of lithium;alumane;8-bromo-1-ethyl-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]imidazo[1,5-c]pyrimidine;[8-bromo-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]imidazo[1,5-c]pyrimidin-1-yl]methanol;carbon dioxide;(2,4-dimethylpyrimidin-5-yl)boronic acid;[8-(2,4-dimethylpyrimidin-5-yl)-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]imidazo[1,5-c]pyrimidin-1-yl]methanol;[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]imidazo[1,5-c]pyrimidin-1-yl]methanol;hydride?

The InChIKey is SDBUISRNDLKYIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN5O2.C18H17BrFN3O.C17H15BrFN3O2.C17H16FN3O2.C6H9BN2O2.CO2.Al.Li.4H/c1-13-17(9-25-14(2)28-13)18-10-26-22(29-12-27-20(11-30)23(18)29)6-3-15-16-7-8-31-21(16)5-4-19(15)24;1-2-15-18-13(19)9-21-17(23(18)10-22-15)6-3-11-12-7-8-24-16(12)5-4-14(11)20;18-12-7-20-16(22-9-21-14(8-23)17(12)22)4-1-10-11-5-6-24-15(11)3-2-13(10)19;18-13-2-3-16-12(6-8-23-16)11(13)1-4-17-19-7-5-15-14(9-22)20-10-21(15)17;1-4-6(7(10)11)3-8-5(2)9-4;2-1-3;;;;;;/h4-5,9-10,12,30H,3,6-8,11H2,1-2H3;4-5,9-10H,2-3,6-8H2,1H3;2-3,7,9,23H,1,4-6,8H2;2-3,5,7,10,22H,1,4,6,8-9H2;3,10-11H,1-2H3;;;;;;;/q;;;;;;;+1;;;;-1.

What are the key properties of lithium;alumane;8-bromo-1-ethyl-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]imidazo[1,5-c]pyrimidine;[8-bromo-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]imidazo[1,5-c]pyrimidin-1-yl]methanol;carbon dioxide;(2,4-dimethylpyrimidin-5-yl)boronic acid;[8-(2,4-dimethylpyrimidin-5-yl)-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]imidazo[1,5-c]pyrimidin-1-yl]methanol;[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]imidazo[1,5-c]pyrimidin-1-yl]methanol;hydride?

lithium;alumane;8-bromo-1-ethyl-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]imidazo[1,5-c]pyrimidine;[8-bromo-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]imidazo[1,5-c]pyrimidin-1-yl]methanol;carbon dioxide;(2,4-dimethylpyrimidin-5-yl)boronic acid;[8-(2,4-dimethylpyrimidin-5-yl)-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]imidazo[1,5-c]pyrimidin-1-yl]methanol;[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]imidazo[1,5-c]pyrimidin-1-yl]methanol;hydride has a molecular weight of 1749.20 g/mol, XLogP of 6.11, 18 rotatable bonds, 5 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;alumane;8-bromo-1-ethyl-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]imidazo[1,5-c]pyrimidine;[8-bromo-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]imidazo[1,5-c]pyrimidin-1-yl]methanol;carbon dioxide;(2,4-dimethylpyrimidin-5-yl)boronic acid;[8-(2,4-dimethylpyrimidin-5-yl)-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]imidazo[1,5-c]pyrimidin-1-yl]methanol;[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]imidazo[1,5-c]pyrimidin-1-yl]methanol;hydride is sourced from PubChem (CID 157287596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).