lithium;alumane;5-[5-amino-6-(aminomethyl)-3-(4-fluorophenyl)pyrazin-2-yl]-1-methylpyridin-2-one;3-amino-6-chloro-5-(4-fluorophenyl)pyrazine-2-carbonitrile;3-amino-5-(4-fluorophenyl)-6-(1-methyl-6-oxo-3-pyridinyl)pyrazine-2-carbonitrile;N-[[3-amino-5-(4-fluorophenyl)-6-(1-methyl-6-oxo-3-pyridinyl)pyrazin-2-yl]methyl]-2,6-difluorobenzamide;2,6-difluorobenzoyl chloride;hydride;methane;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one

C91H89AlBCl2F8LiN20O8 — CID 162154035

About lithium;alumane;5-[5-amino-6-(aminomethyl)-3-(4-fluorophenyl)pyrazin-2-yl]-1-methylpyridin-2-one;3-amino-6-chloro-5-(4-fluorophenyl)pyrazine-2-carbonitrile;3-amino-5-(4-fluorophenyl)-6-(1-methyl-6-oxo-3-pyridinyl)pyrazine-2-carbonitrile;N-[[3-amino-5-(4-fluorophenyl)-6-(1-methyl-6-oxo-3-pyridinyl)pyrazin-2-yl]methyl]-2,6-difluorobenzamide;2,6-difluorobenzoyl chloride;hydride;methane;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one

lithium;alumane;5-[5-amino-6-(aminomethyl)-3-(4-fluorophenyl)pyrazin-2-yl]-1-methylpyridin-2-one;3-amino-6-chloro-5-(4-fluorophenyl)pyrazine-2-carbonitrile;3-amino-5-(4-fluorophenyl)-6-(1-methyl-6-oxo-3-pyridinyl)pyrazine-2-carbonitrile;N-[[3-amino-5-(4-fluorophenyl)-6-(1-methyl-6-oxo-3-pyridinyl)pyrazin-2-yl]methyl]-2,6-difluorobenzamide;2,6-difluorobenzoyl chloride;hydride;methane;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one (PubChem CID 162154035) has the molecular formula C91H89AlBCl2F8LiN20O8 and a molecular weight of 1858.47 g/mol. Its IUPAC name is lithium;alumane;5-[5-amino-6-(aminomethyl)-3-(4-fluorophenyl)pyrazin-2-yl]-1-methylpyridin-2-one;3-amino-6-chloro-5-(4-fluorophenyl)pyrazine-2-carbonitrile;3-amino-5-(4-fluorophenyl)-6-(1-methyl-6-oxo-3-pyridinyl)pyrazine-2-carbonitrile;N-[[3-amino-5-(4-fluorophenyl)-6-(1-methyl-6-oxo-3-pyridinyl)pyrazin-2-yl]methyl]-2,6-difluorobenzamide;2,6-difluorobenzoyl chloride;hydride;methane;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one.

Molecular Properties

• Compound Name: lithium;alumane;5-[5-amino-6-(aminomethyl)-3-(4-fluorophenyl)pyrazin-2-yl]-1-methylpyridin-2-one;3-amino-6-chloro-5-(4-fluorophenyl)pyrazine-2-carbonitrile;3-amino-5-(4-fluorophenyl)-6-(1-methyl-6-oxo-3-pyridinyl)pyrazine-2-carbonitrile;N-[[3-amino-5-(4-fluorophenyl)-6-(1-methyl-6-oxo-3-pyridinyl)pyrazin-2-yl]methyl]-2,6-difluorobenzamide;2,6-difluorobenzoyl chloride;hydride;methane;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one
• PubChem CID: 162154035
• Molecular Formula: C91H89AlBCl2F8LiN20O8
• Molecular Weight: 1858.47 g/mol
• Exact Mass: 1856.65
• IUPAC Name: lithium;alumane;5-[5-amino-6-(aminomethyl)-3-(4-fluorophenyl)pyrazin-2-yl]-1-methylpyridin-2-one;3-amino-6-chloro-5-(4-fluorophenyl)pyrazine-2-carbonitrile;3-amino-5-(4-fluorophenyl)-6-(1-methyl-6-oxo-3-pyridinyl)pyrazine-2-carbonitrile;N-[[3-amino-5-(4-fluorophenyl)-6-(1-methyl-6-oxo-3-pyridinyl)pyrazin-2-yl]methyl]-2,6-difluorobenzamide;2,6-difluorobenzoyl chloride;hydride;methane;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one
• SMILES: C.C.C.Cn1cc(-c2nc(C#N)c(N)nc2-c2ccc(F)cc2)ccc1=O.Cn1cc(-c2nc(CN)c(N)nc2-c2ccc(F)cc2)ccc1=O.Cn1cc(-c2nc(CNC(=O)c3c(F)cccc3F)c(N)nc2-c2ccc(F)cc2)ccc1=O.Cn1cc(B2OC(C)(C)C(C)(C)O2)ccc1=O.N#Cc1nc(Cl)c(-c2ccc(F)cc2)nc1N.O=C(Cl)c1c(F)cccc1F.[AlH3].[H-].[Li+]
• InChI: InChI=1S/C24H18F3N5O2.C17H16FN5O.C17H12FN5O.C12H18BNO3.C11H6ClFN4.C7H3ClF2O.3CH4.Al.Li.4H/c1-32-12-14(7-10-19(32)33)22-21(13-5-8-15(25)9-6-13)31-23(28)18(30-22)11-29-24(34)20-16(26)3-2-4-17(20)27;2*1-23-9-11(4-7-14(23)24)16-15(10-2-5-12(18)6-3-10)22-17(20)13(8-19)21-16;1-11(2)12(3,4)17-13(16-11)9-6-7-10(15)14(5)8-9;12-10-9(6-1-3-7(13)4-2-6)17-11(15)8(5-14)16-10;8-7(11)6-4(9)2-1-3-5(6)10;;;;;;;;;/h2-10,12H,11H2,1H3,(H2,28,31)(H,29,34);2-7,9H,8,19H2,1H3,(H2,20,22);2-7,9H,1H3,(H2,20,22);6-8H,1-5H3;1-4H,(H2,15,17);1-3H;3*1H4;;;;;;/q;;;;;;;;;;+1;;;;-1
• InChIKey: FRDASLCZSSIIGN-UHFFFAOYSA-N
• XLogP: 10.49
• TPSA: 433.43 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 27
• Rotatable Bonds: 13
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1858.47
LogP ≤ 5	10.49
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of lithium;alumane;5-[5-amino-6-(aminomethyl)-3-(4-fluorophenyl)pyrazin-2-yl]-1-methylpyridin-2-one;3-amino-6-chloro-5-(4-fluorophenyl)pyrazine-2-carbonitrile;3-amino-5-(4-fluorophenyl)-6-(1-methyl-6-oxo-3-pyridinyl)pyrazine-2-carbonitrile;N-[[3-amino-5-(4-fluorophenyl)-6-(1-methyl-6-oxo-3-pyridinyl)pyrazin-2-yl]methyl]-2,6-difluorobenzamide;2,6-difluorobenzoyl chloride;hydride;methane;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one?

The IUPAC name of lithium;alumane;5-[5-amino-6-(aminomethyl)-3-(4-fluorophenyl)pyrazin-2-yl]-1-methylpyridin-2-one;3-amino-6-chloro-5-(4-fluorophenyl)pyrazine-2-carbonitrile;3-amino-5-(4-fluorophenyl)-6-(1-methyl-6-oxo-3-pyridinyl)pyrazine-2-carbonitrile;N-[[3-amino-5-(4-fluorophenyl)-6-(1-methyl-6-oxo-3-pyridinyl)pyrazin-2-yl]methyl]-2,6-difluorobenzamide;2,6-difluorobenzoyl chloride;hydride;methane;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one (CID 162154035) is lithium;alumane;5-[5-amino-6-(aminomethyl)-3-(4-fluorophenyl)pyrazin-2-yl]-1-methylpyridin-2-one;3-amino-6-chloro-5-(4-fluorophenyl)pyrazine-2-carbonitrile;3-amino-5-(4-fluorophenyl)-6-(1-methyl-6-oxo-3-pyridinyl)pyrazine-2-carbonitrile;N-[[3-amino-5-(4-fluorophenyl)-6-(1-methyl-6-oxo-3-pyridinyl)pyrazin-2-yl]methyl]-2,6-difluorobenzamide;2,6-difluorobenzoyl chloride;hydride;methane;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one.

What is the SMILES notation for lithium;alumane;5-[5-amino-6-(aminomethyl)-3-(4-fluorophenyl)pyrazin-2-yl]-1-methylpyridin-2-one;3-amino-6-chloro-5-(4-fluorophenyl)pyrazine-2-carbonitrile;3-amino-5-(4-fluorophenyl)-6-(1-methyl-6-oxo-3-pyridinyl)pyrazine-2-carbonitrile;N-[[3-amino-5-(4-fluorophenyl)-6-(1-methyl-6-oxo-3-pyridinyl)pyrazin-2-yl]methyl]-2,6-difluorobenzamide;2,6-difluorobenzoyl chloride;hydride;methane;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one?

The canonical SMILES for lithium;alumane;5-[5-amino-6-(aminomethyl)-3-(4-fluorophenyl)pyrazin-2-yl]-1-methylpyridin-2-one;3-amino-6-chloro-5-(4-fluorophenyl)pyrazine-2-carbonitrile;3-amino-5-(4-fluorophenyl)-6-(1-methyl-6-oxo-3-pyridinyl)pyrazine-2-carbonitrile;N-[[3-amino-5-(4-fluorophenyl)-6-(1-methyl-6-oxo-3-pyridinyl)pyrazin-2-yl]methyl]-2,6-difluorobenzamide;2,6-difluorobenzoyl chloride;hydride;methane;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one is C.C.C.Cn1cc(-c2nc(C#N)c(N)nc2-c2ccc(F)cc2)ccc1=O.Cn1cc(-c2nc(CN)c(N)nc2-c2ccc(F)cc2)ccc1=O.Cn1cc(-c2nc(CNC(=O)c3c(F)cccc3F)c(N)nc2-c2ccc(F)cc2)ccc1=O.Cn1cc(B2OC(C)(C)C(C)(C)O2)ccc1=O.N#Cc1nc(Cl)c(-c2ccc(F)cc2)nc1N.O=C(Cl)c1c(F)cccc1F.[AlH3].[H-].[Li+].

What is the InChIKey of lithium;alumane;5-[5-amino-6-(aminomethyl)-3-(4-fluorophenyl)pyrazin-2-yl]-1-methylpyridin-2-one;3-amino-6-chloro-5-(4-fluorophenyl)pyrazine-2-carbonitrile;3-amino-5-(4-fluorophenyl)-6-(1-methyl-6-oxo-3-pyridinyl)pyrazine-2-carbonitrile;N-[[3-amino-5-(4-fluorophenyl)-6-(1-methyl-6-oxo-3-pyridinyl)pyrazin-2-yl]methyl]-2,6-difluorobenzamide;2,6-difluorobenzoyl chloride;hydride;methane;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one?

The InChIKey is FRDASLCZSSIIGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F3N5O2.C17H16FN5O.C17H12FN5O.C12H18BNO3.C11H6ClFN4.C7H3ClF2O.3CH4.Al.Li.4H/c1-32-12-14(7-10-19(32)33)22-21(13-5-8-15(25)9-6-13)31-23(28)18(30-22)11-29-24(34)20-16(26)3-2-4-17(20)27;2*1-23-9-11(4-7-14(23)24)16-15(10-2-5-12(18)6-3-10)22-17(20)13(8-19)21-16;1-11(2)12(3,4)17-13(16-11)9-6-7-10(15)14(5)8-9;12-10-9(6-1-3-7(13)4-2-6)17-11(15)8(5-14)16-10;8-7(11)6-4(9)2-1-3-5(6)10;;;;;;;;;/h2-10,12H,11H2,1H3,(H2,28,31)(H,29,34);2-7,9H,8,19H2,1H3,(H2,20,22);2-7,9H,1H3,(H2,20,22);6-8H,1-5H3;1-4H,(H2,15,17);1-3H;3*1H4;;;;;;/q;;;;;;;;;;+1;;;;-1.

What are the key properties of lithium;alumane;5-[5-amino-6-(aminomethyl)-3-(4-fluorophenyl)pyrazin-2-yl]-1-methylpyridin-2-one;3-amino-6-chloro-5-(4-fluorophenyl)pyrazine-2-carbonitrile;3-amino-5-(4-fluorophenyl)-6-(1-methyl-6-oxo-3-pyridinyl)pyrazine-2-carbonitrile;N-[[3-amino-5-(4-fluorophenyl)-6-(1-methyl-6-oxo-3-pyridinyl)pyrazin-2-yl]methyl]-2,6-difluorobenzamide;2,6-difluorobenzoyl chloride;hydride;methane;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one?

lithium;alumane;5-[5-amino-6-(aminomethyl)-3-(4-fluorophenyl)pyrazin-2-yl]-1-methylpyridin-2-one;3-amino-6-chloro-5-(4-fluorophenyl)pyrazine-2-carbonitrile;3-amino-5-(4-fluorophenyl)-6-(1-methyl-6-oxo-3-pyridinyl)pyrazine-2-carbonitrile;N-[[3-amino-5-(4-fluorophenyl)-6-(1-methyl-6-oxo-3-pyridinyl)pyrazin-2-yl]methyl]-2,6-difluorobenzamide;2,6-difluorobenzoyl chloride;hydride;methane;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one has a molecular weight of 1858.47 g/mol, XLogP of 10.49, 13 rotatable bonds, 6 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;alumane;5-[5-amino-6-(aminomethyl)-3-(4-fluorophenyl)pyrazin-2-yl]-1-methylpyridin-2-one;3-amino-6-chloro-5-(4-fluorophenyl)pyrazine-2-carbonitrile;3-amino-5-(4-fluorophenyl)-6-(1-methyl-6-oxo-3-pyridinyl)pyrazine-2-carbonitrile;N-[[3-amino-5-(4-fluorophenyl)-6-(1-methyl-6-oxo-3-pyridinyl)pyrazin-2-yl]methyl]-2,6-difluorobenzamide;2,6-difluorobenzoyl chloride;hydride;methane;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one is sourced from PubChem (CID 162154035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).