lithium;3-amino-5-(4-fluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazine-2-carboxylic acid;1-[3-amino-5-(4-fluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazin-2-yl]-3-[1-(dimethylamino)cyclopropyl]propan-1-one;1-(aminomethyl)-N,N-dimethylcyclopropan-1-amine;2-bromo-1,1-dimethoxypropane;(4-fluorophenyl)boronic acid;methane;methyl 3-amino-6-chloro-5-(4-fluorophenyl)pyrazine-2-carboxylate;methyl 3-amino-5,6-dichloropyrazine-2-carboxylate;methyl 3-amino-5-(4-fluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazine-2-carboxylate;bis((3-methylimidazo[1,2-a]pyridin-6-yl)boronic acid);5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine;hydroxide

C128H142B4BrCl3F5LiN30O20 — CID 159374890

About lithium;3-amino-5-(4-fluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazine-2-carboxylic acid;1-[3-amino-5-(4-fluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazin-2-yl]-3-[1-(dimethylamino)cyclopropyl]propan-1-one;1-(aminomethyl)-N,N-dimethylcyclopropan-1-amine;2-bromo-1,1-dimethoxypropane;(4-fluorophenyl)boronic acid;methane;methyl 3-amino-6-chloro-5-(4-fluorophenyl)pyrazine-2-carboxylate;methyl 3-amino-5,6-dichloropyrazine-2-carboxylate;methyl 3-amino-5-(4-fluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazine-2-carboxylate;bis((3-methylimidazo[1,2-a]pyridin-6-yl)boronic acid);5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine;hydroxide

lithium;3-amino-5-(4-fluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazine-2-carboxylic acid;1-[3-amino-5-(4-fluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazin-2-yl]-3-[1-(dimethylamino)cyclopropyl]propan-1-one;1-(aminomethyl)-N,N-dimethylcyclopropan-1-amine;2-bromo-1,1-dimethoxypropane;(4-fluorophenyl)boronic acid;methane;methyl 3-amino-6-chloro-5-(4-fluorophenyl)pyrazine-2-carboxylate;methyl 3-amino-5,6-dichloropyrazine-2-carboxylate;methyl 3-amino-5-(4-fluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazine-2-carboxylate;bis((3-methylimidazo[1,2-a]pyridin-6-yl)boronic acid);5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine;hydroxide (PubChem CID 159374890) has the molecular formula C128H142B4BrCl3F5LiN30O20 and a molecular weight of 2752.18 g/mol. Its IUPAC name is lithium;3-amino-5-(4-fluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazine-2-carboxylic acid;1-[3-amino-5-(4-fluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazin-2-yl]-3-[1-(dimethylamino)cyclopropyl]propan-1-one;1-(aminomethyl)-N,N-dimethylcyclopropan-1-amine;2-bromo-1,1-dimethoxypropane;(4-fluorophenyl)boronic acid;methane;methyl 3-amino-6-chloro-5-(4-fluorophenyl)pyrazine-2-carboxylate;methyl 3-amino-5,6-dichloropyrazine-2-carboxylate;methyl 3-amino-5-(4-fluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazine-2-carboxylate;bis((3-methylimidazo[1,2-a]pyridin-6-yl)boronic acid);5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine;hydroxide.

Molecular Properties

• Compound Name: lithium;3-amino-5-(4-fluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazine-2-carboxylic acid;1-[3-amino-5-(4-fluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazin-2-yl]-3-[1-(dimethylamino)cyclopropyl]propan-1-one;1-(aminomethyl)-N,N-dimethylcyclopropan-1-amine;2-bromo-1,1-dimethoxypropane;(4-fluorophenyl)boronic acid;methane;methyl 3-amino-6-chloro-5-(4-fluorophenyl)pyrazine-2-carboxylate;methyl 3-amino-5,6-dichloropyrazine-2-carboxylate;methyl 3-amino-5-(4-fluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazine-2-carboxylate;bis((3-methylimidazo[1,2-a]pyridin-6-yl)boronic acid);5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine;hydroxide
• PubChem CID: 159374890
• Molecular Formula: C128H142B4BrCl3F5LiN30O20
• Molecular Weight: 2752.18 g/mol
• Exact Mass: 2748.97
• IUPAC Name: lithium;3-amino-5-(4-fluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazine-2-carboxylic acid;1-[3-amino-5-(4-fluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazin-2-yl]-3-[1-(dimethylamino)cyclopropyl]propan-1-one;1-(aminomethyl)-N,N-dimethylcyclopropan-1-amine;2-bromo-1,1-dimethoxypropane;(4-fluorophenyl)boronic acid;methane;methyl 3-amino-6-chloro-5-(4-fluorophenyl)pyrazine-2-carboxylate;methyl 3-amino-5,6-dichloropyrazine-2-carboxylate;methyl 3-amino-5-(4-fluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazine-2-carboxylate;bis((3-methylimidazo[1,2-a]pyridin-6-yl)boronic acid);5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine;hydroxide
• SMILES: C.CC1(C)OB(c2ccc(N)nc2)OC1(C)C.CN(C)C1(CN)CC1.COC(=O)c1nc(-c2ccc3ncc(C)n3c2)c(-c2ccc(F)cc2)nc1N.COC(=O)c1nc(Cl)c(-c2ccc(F)cc2)nc1N.COC(=O)c1nc(Cl)c(Cl)nc1N.COC(OC)C(C)Br.Cc1cnc2ccc(-c3nc(C(=O)CCC4(N(C)C)CC4)c(N)nc3-c3ccc(F)cc3)cn12.Cc1cnc2ccc(-c3nc(C(=O)O)c(N)nc3-c3ccc(F)cc3)cn12.Cc1cnc2ccc(B(O)O)cn12.Cc1cnc2ccc(B(O)O)cn12.OB(O)c1ccc(F)cc1.[Li+].[OH-]
• InChI: InChI=1S/C26H27FN6O.C20H16FN5O2.C19H14FN5O2.C12H9ClFN3O2.C11H17BN2O2.2C8H9BN2O2.C6H6BFO2.C6H5Cl2N3O2.C6H14N2.C5H11BrO2.CH4.Li.H2O/c1-16-14-29-21-9-6-18(15-33(16)21)23-22(17-4-7-19(27)8-5-17)31-25(28)24(30-23)20(34)10-11-26(12-13-26)32(2)3;1-11-9-23-15-8-5-13(10-26(11)15)17-16(12-3-6-14(21)7-4-12)25-19(22)18(24-17)20(27)28-2;1-10-8-22-14-7-4-12(9-25(10)14)16-15(11-2-5-13(20)6-3-11)24-18(21)17(23-16)19(26)27;1-19-12(18)9-11(15)17-8(10(13)16-9)6-2-4-7(14)5-3-6;1-10(2)11(3,4)16-12(15-10)8-5-6-9(13)14-7-8;2*1-6-4-10-8-3-2-7(9(12)13)5-11(6)8;8-6-3-1-5(2-4-6)7(9)10;1-13-6(12)2-5(9)11-4(8)3(7)10-2;1-8(2)6(5-7)3-4-6;1-4(6)5(7-2)8-3;;;/h4-9,14-15H,10-13H2,1-3H3,(H2,28,31);3-10H,1-2H3,(H2,22,25);2-9H,1H3,(H2,21,24)(H,26,27);2-5H,1H3,(H2,15,17);5-7H,1-4H3,(H2,13,14);2*2-5,12-13H,1H3;1-4,9-10H;1H3,(H2,9,11);3-5,7H2,1-2H3;4-5H,1-3H3;1H4;;1H2/q;;;;;;;;;;;;+1;/p-1
• InChIKey: LKEOBOVTJJPMER-UHFFFAOYSA-M
• XLogP: 12.47
• TPSA: 738.48 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 49
• Rotatable Bonds: 25
• Heavy Atoms: 192
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2752.18
LogP ≤ 5	12.47
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	49

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of lithium;3-amino-5-(4-fluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazine-2-carboxylic acid;1-[3-amino-5-(4-fluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazin-2-yl]-3-[1-(dimethylamino)cyclopropyl]propan-1-one;1-(aminomethyl)-N,N-dimethylcyclopropan-1-amine;2-bromo-1,1-dimethoxypropane;(4-fluorophenyl)boronic acid;methane;methyl 3-amino-6-chloro-5-(4-fluorophenyl)pyrazine-2-carboxylate;methyl 3-amino-5,6-dichloropyrazine-2-carboxylate;methyl 3-amino-5-(4-fluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazine-2-carboxylate;bis((3-methylimidazo[1,2-a]pyridin-6-yl)boronic acid);5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine;hydroxide?

The IUPAC name of lithium;3-amino-5-(4-fluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazine-2-carboxylic acid;1-[3-amino-5-(4-fluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazin-2-yl]-3-[1-(dimethylamino)cyclopropyl]propan-1-one;1-(aminomethyl)-N,N-dimethylcyclopropan-1-amine;2-bromo-1,1-dimethoxypropane;(4-fluorophenyl)boronic acid;methane;methyl 3-amino-6-chloro-5-(4-fluorophenyl)pyrazine-2-carboxylate;methyl 3-amino-5,6-dichloropyrazine-2-carboxylate;methyl 3-amino-5-(4-fluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazine-2-carboxylate;bis((3-methylimidazo[1,2-a]pyridin-6-yl)boronic acid);5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine;hydroxide (CID 159374890) is lithium;3-amino-5-(4-fluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazine-2-carboxylic acid;1-[3-amino-5-(4-fluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazin-2-yl]-3-[1-(dimethylamino)cyclopropyl]propan-1-one;1-(aminomethyl)-N,N-dimethylcyclopropan-1-amine;2-bromo-1,1-dimethoxypropane;(4-fluorophenyl)boronic acid;methane;methyl 3-amino-6-chloro-5-(4-fluorophenyl)pyrazine-2-carboxylate;methyl 3-amino-5,6-dichloropyrazine-2-carboxylate;methyl 3-amino-5-(4-fluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazine-2-carboxylate;bis((3-methylimidazo[1,2-a]pyridin-6-yl)boronic acid);5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine;hydroxide.

What is the SMILES notation for lithium;3-amino-5-(4-fluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazine-2-carboxylic acid;1-[3-amino-5-(4-fluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazin-2-yl]-3-[1-(dimethylamino)cyclopropyl]propan-1-one;1-(aminomethyl)-N,N-dimethylcyclopropan-1-amine;2-bromo-1,1-dimethoxypropane;(4-fluorophenyl)boronic acid;methane;methyl 3-amino-6-chloro-5-(4-fluorophenyl)pyrazine-2-carboxylate;methyl 3-amino-5,6-dichloropyrazine-2-carboxylate;methyl 3-amino-5-(4-fluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazine-2-carboxylate;bis((3-methylimidazo[1,2-a]pyridin-6-yl)boronic acid);5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine;hydroxide?

The canonical SMILES for lithium;3-amino-5-(4-fluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazine-2-carboxylic acid;1-[3-amino-5-(4-fluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazin-2-yl]-3-[1-(dimethylamino)cyclopropyl]propan-1-one;1-(aminomethyl)-N,N-dimethylcyclopropan-1-amine;2-bromo-1,1-dimethoxypropane;(4-fluorophenyl)boronic acid;methane;methyl 3-amino-6-chloro-5-(4-fluorophenyl)pyrazine-2-carboxylate;methyl 3-amino-5,6-dichloropyrazine-2-carboxylate;methyl 3-amino-5-(4-fluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazine-2-carboxylate;bis((3-methylimidazo[1,2-a]pyridin-6-yl)boronic acid);5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine;hydroxide is C.CC1(C)OB(c2ccc(N)nc2)OC1(C)C.CN(C)C1(CN)CC1.COC(=O)c1nc(-c2ccc3ncc(C)n3c2)c(-c2ccc(F)cc2)nc1N.COC(=O)c1nc(Cl)c(-c2ccc(F)cc2)nc1N.COC(=O)c1nc(Cl)c(Cl)nc1N.COC(OC)C(C)Br.Cc1cnc2ccc(-c3nc(C(=O)CCC4(N(C)C)CC4)c(N)nc3-c3ccc(F)cc3)cn12.Cc1cnc2ccc(-c3nc(C(=O)O)c(N)nc3-c3ccc(F)cc3)cn12.Cc1cnc2ccc(B(O)O)cn12.Cc1cnc2ccc(B(O)O)cn12.OB(O)c1ccc(F)cc1.[Li+].[OH-].

What is the InChIKey of lithium;3-amino-5-(4-fluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazine-2-carboxylic acid;1-[3-amino-5-(4-fluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazin-2-yl]-3-[1-(dimethylamino)cyclopropyl]propan-1-one;1-(aminomethyl)-N,N-dimethylcyclopropan-1-amine;2-bromo-1,1-dimethoxypropane;(4-fluorophenyl)boronic acid;methane;methyl 3-amino-6-chloro-5-(4-fluorophenyl)pyrazine-2-carboxylate;methyl 3-amino-5,6-dichloropyrazine-2-carboxylate;methyl 3-amino-5-(4-fluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazine-2-carboxylate;bis((3-methylimidazo[1,2-a]pyridin-6-yl)boronic acid);5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine;hydroxide?

The InChIKey is LKEOBOVTJJPMER-UHFFFAOYSA-M. The full InChI is InChI=1S/C26H27FN6O.C20H16FN5O2.C19H14FN5O2.C12H9ClFN3O2.C11H17BN2O2.2C8H9BN2O2.C6H6BFO2.C6H5Cl2N3O2.C6H14N2.C5H11BrO2.CH4.Li.H2O/c1-16-14-29-21-9-6-18(15-33(16)21)23-22(17-4-7-19(27)8-5-17)31-25(28)24(30-23)20(34)10-11-26(12-13-26)32(2)3;1-11-9-23-15-8-5-13(10-26(11)15)17-16(12-3-6-14(21)7-4-12)25-19(22)18(24-17)20(27)28-2;1-10-8-22-14-7-4-12(9-25(10)14)16-15(11-2-5-13(20)6-3-11)24-18(21)17(23-16)19(26)27;1-19-12(18)9-11(15)17-8(10(13)16-9)6-2-4-7(14)5-3-6;1-10(2)11(3,4)16-12(15-10)8-5-6-9(13)14-7-8;2*1-6-4-10-8-3-2-7(9(12)13)5-11(6)8;8-6-3-1-5(2-4-6)7(9)10;1-13-6(12)2-5(9)11-4(8)3(7)10-2;1-8(2)6(5-7)3-4-6;1-4(6)5(7-2)8-3;;;/h4-9,14-15H,10-13H2,1-3H3,(H2,28,31);3-10H,1-2H3,(H2,22,25);2-9H,1H3,(H2,21,24)(H,26,27);2-5H,1H3,(H2,15,17);5-7H,1-4H3,(H2,13,14);2*2-5,12-13H,1H3;1-4,9-10H;1H3,(H2,9,11);3-5,7H2,1-2H3;4-5H,1-3H3;1H4;;1H2/q;;;;;;;;;;;;+1;/p-1.

What are the key properties of lithium;3-amino-5-(4-fluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazine-2-carboxylic acid;1-[3-amino-5-(4-fluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazin-2-yl]-3-[1-(dimethylamino)cyclopropyl]propan-1-one;1-(aminomethyl)-N,N-dimethylcyclopropan-1-amine;2-bromo-1,1-dimethoxypropane;(4-fluorophenyl)boronic acid;methane;methyl 3-amino-6-chloro-5-(4-fluorophenyl)pyrazine-2-carboxylate;methyl 3-amino-5,6-dichloropyrazine-2-carboxylate;methyl 3-amino-5-(4-fluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazine-2-carboxylate;bis((3-methylimidazo[1,2-a]pyridin-6-yl)boronic acid);5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine;hydroxide?

lithium;3-amino-5-(4-fluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazine-2-carboxylic acid;1-[3-amino-5-(4-fluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazin-2-yl]-3-[1-(dimethylamino)cyclopropyl]propan-1-one;1-(aminomethyl)-N,N-dimethylcyclopropan-1-amine;2-bromo-1,1-dimethoxypropane;(4-fluorophenyl)boronic acid;methane;methyl 3-amino-6-chloro-5-(4-fluorophenyl)pyrazine-2-carboxylate;methyl 3-amino-5,6-dichloropyrazine-2-carboxylate;methyl 3-amino-5-(4-fluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazine-2-carboxylate;bis((3-methylimidazo[1,2-a]pyridin-6-yl)boronic acid);5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine;hydroxide has a molecular weight of 2752.18 g/mol, XLogP of 12.47, 25 rotatable bonds, 14 hydrogen bond donors, and 49 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;3-amino-5-(4-fluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazine-2-carboxylic acid;1-[3-amino-5-(4-fluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazin-2-yl]-3-[1-(dimethylamino)cyclopropyl]propan-1-one;1-(aminomethyl)-N,N-dimethylcyclopropan-1-amine;2-bromo-1,1-dimethoxypropane;(4-fluorophenyl)boronic acid;methane;methyl 3-amino-6-chloro-5-(4-fluorophenyl)pyrazine-2-carboxylate;methyl 3-amino-5,6-dichloropyrazine-2-carboxylate;methyl 3-amino-5-(4-fluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazine-2-carboxylate;bis((3-methylimidazo[1,2-a]pyridin-6-yl)boronic acid);5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine;hydroxide is sourced from PubChem (CID 159374890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).