lithium;3-amino-5-(3,4-difluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazine-2-carboxylic acid;1-[3-amino-5-(3,4-difluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazin-2-yl]-3-[(2R)-1-methylpyrrolidin-2-yl]propan-1-one;(3,4-difluorophenyl)boronic acid;methyl 3-amino-6-chloro-5-(3,4-difluorophenyl)pyrazine-2-carboxylate;methyl 3-amino-5,6-dichloropyrazine-2-carboxylate;methyl 3-amino-5-(3,4-difluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazine-2-carboxylate;(3-methylimidazo[1,2-a]pyridin-6-yl)boronic acid;[(2R)-1-methylpyrrolidin-2-yl]methanamine;hydroxide

C103H96B2Cl3F10LiN26O14 — CID 161160161

About lithium;3-amino-5-(3,4-difluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazine-2-carboxylic acid;1-[3-amino-5-(3,4-difluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazin-2-yl]-3-[(2R)-1-methylpyrrolidin-2-yl]propan-1-one;(3,4-difluorophenyl)boronic acid;methyl 3-amino-6-chloro-5-(3,4-difluorophenyl)pyrazine-2-carboxylate;methyl 3-amino-5,6-dichloropyrazine-2-carboxylate;methyl 3-amino-5-(3,4-difluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazine-2-carboxylate;(3-methylimidazo[1,2-a]pyridin-6-yl)boronic acid;[(2R)-1-methylpyrrolidin-2-yl]methanamine;hydroxide

lithium;3-amino-5-(3,4-difluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazine-2-carboxylic acid;1-[3-amino-5-(3,4-difluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazin-2-yl]-3-[(2R)-1-methylpyrrolidin-2-yl]propan-1-one;(3,4-difluorophenyl)boronic acid;methyl 3-amino-6-chloro-5-(3,4-difluorophenyl)pyrazine-2-carboxylate;methyl 3-amino-5,6-dichloropyrazine-2-carboxylate;methyl 3-amino-5-(3,4-difluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazine-2-carboxylate;(3-methylimidazo[1,2-a]pyridin-6-yl)boronic acid;[(2R)-1-methylpyrrolidin-2-yl]methanamine;hydroxide (PubChem CID 161160161) has the molecular formula C103H96B2Cl3F10LiN26O14 and a molecular weight of 2246.97 g/mol. Its IUPAC name is lithium;3-amino-5-(3,4-difluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazine-2-carboxylic acid;1-[3-amino-5-(3,4-difluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazin-2-yl]-3-[(2R)-1-methylpyrrolidin-2-yl]propan-1-one;(3,4-difluorophenyl)boronic acid;methyl 3-amino-6-chloro-5-(3,4-difluorophenyl)pyrazine-2-carboxylate;methyl 3-amino-5,6-dichloropyrazine-2-carboxylate;methyl 3-amino-5-(3,4-difluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazine-2-carboxylate;(3-methylimidazo[1,2-a]pyridin-6-yl)boronic acid;[(2R)-1-methylpyrrolidin-2-yl]methanamine;hydroxide.

Molecular Properties

• Compound Name: lithium;3-amino-5-(3,4-difluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazine-2-carboxylic acid;1-[3-amino-5-(3,4-difluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazin-2-yl]-3-[(2R)-1-methylpyrrolidin-2-yl]propan-1-one;(3,4-difluorophenyl)boronic acid;methyl 3-amino-6-chloro-5-(3,4-difluorophenyl)pyrazine-2-carboxylate;methyl 3-amino-5,6-dichloropyrazine-2-carboxylate;methyl 3-amino-5-(3,4-difluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazine-2-carboxylate;(3-methylimidazo[1,2-a]pyridin-6-yl)boronic acid;[(2R)-1-methylpyrrolidin-2-yl]methanamine;hydroxide
• PubChem CID: 161160161
• Molecular Formula: C103H96B2Cl3F10LiN26O14
• Molecular Weight: 2246.97 g/mol
• Exact Mass: 2244.69
• IUPAC Name: lithium;3-amino-5-(3,4-difluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazine-2-carboxylic acid;1-[3-amino-5-(3,4-difluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazin-2-yl]-3-[(2R)-1-methylpyrrolidin-2-yl]propan-1-one;(3,4-difluorophenyl)boronic acid;methyl 3-amino-6-chloro-5-(3,4-difluorophenyl)pyrazine-2-carboxylate;methyl 3-amino-5,6-dichloropyrazine-2-carboxylate;methyl 3-amino-5-(3,4-difluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazine-2-carboxylate;(3-methylimidazo[1,2-a]pyridin-6-yl)boronic acid;[(2R)-1-methylpyrrolidin-2-yl]methanamine;hydroxide
• SMILES: CN1CCC[C@@H]1CN.COC(=O)c1nc(-c2ccc3ncc(C)n3c2)c(-c2ccc(F)c(F)c2)nc1N.COC(=O)c1nc(Cl)c(-c2ccc(F)c(F)c2)nc1N.COC(=O)c1nc(Cl)c(Cl)nc1N.Cc1cnc2ccc(-c3nc(C(=O)CC[C@H]4CCCN4C)c(N)nc3-c3ccc(F)c(F)c3)cn12.Cc1cnc2ccc(-c3nc(C(=O)O)c(N)nc3-c3ccc(F)c(F)c3)cn12.Cc1cnc2ccc(B(O)O)cn12.OB(O)c1ccc(F)c(F)c1.[Li+].[OH-]
• InChI: InChI=1S/C26H26F2N6O.C20H15F2N5O2.C19H13F2N5O2.C12H8ClF2N3O2.C8H9BN2O2.C6H5BF2O2.C6H5Cl2N3O2.C6H14N2.Li.H2O/c1-15-13-30-22-10-6-17(14-34(15)22)24-23(16-5-8-19(27)20(28)12-16)32-26(29)25(31-24)21(35)9-7-18-4-3-11-33(18)2;1-10-8-24-15-6-4-12(9-27(10)15)17-16(11-3-5-13(21)14(22)7-11)26-19(23)18(25-17)20(28)29-2;1-9-7-23-14-5-3-11(8-26(9)14)16-15(10-2-4-12(20)13(21)6-10)25-18(22)17(24-16)19(27)28;1-20-12(19)9-11(16)18-8(10(13)17-9)5-2-3-6(14)7(15)4-5;1-6-4-10-8-3-2-7(9(12)13)5-11(6)8;8-5-2-1-4(7(10)11)3-6(5)9;1-13-6(12)2-5(9)11-4(8)3(7)10-2;1-8-4-2-3-6(8)5-7;;/h5-6,8,10,12-14,18H,3-4,7,9,11H2,1-2H3,(H2,29,32);3-9H,1-2H3,(H2,23,26);2-8H,1H3,(H2,22,25)(H,27,28);2-4H,1H3,(H2,16,18);2-5,12-13H,1H3;1-3,10-11H;1H3,(H2,9,11);6H,2-5,7H2,1H3;;1H2/q;;;;;;;;+1;/p-1/t18-;;;;;;;6-;;/m1......1../s1
• InChIKey: UPUWPRHRJVEBHW-FDMAYGGYSA-M
• XLogP: 10.85
• TPSA: 604.89 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 39
• Rotatable Bonds: 18
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2246.97
LogP ≤ 5	10.85
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	39

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of lithium;3-amino-5-(3,4-difluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazine-2-carboxylic acid;1-[3-amino-5-(3,4-difluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazin-2-yl]-3-[(2R)-1-methylpyrrolidin-2-yl]propan-1-one;(3,4-difluorophenyl)boronic acid;methyl 3-amino-6-chloro-5-(3,4-difluorophenyl)pyrazine-2-carboxylate;methyl 3-amino-5,6-dichloropyrazine-2-carboxylate;methyl 3-amino-5-(3,4-difluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazine-2-carboxylate;(3-methylimidazo[1,2-a]pyridin-6-yl)boronic acid;[(2R)-1-methylpyrrolidin-2-yl]methanamine;hydroxide?

The IUPAC name of lithium;3-amino-5-(3,4-difluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazine-2-carboxylic acid;1-[3-amino-5-(3,4-difluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazin-2-yl]-3-[(2R)-1-methylpyrrolidin-2-yl]propan-1-one;(3,4-difluorophenyl)boronic acid;methyl 3-amino-6-chloro-5-(3,4-difluorophenyl)pyrazine-2-carboxylate;methyl 3-amino-5,6-dichloropyrazine-2-carboxylate;methyl 3-amino-5-(3,4-difluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazine-2-carboxylate;(3-methylimidazo[1,2-a]pyridin-6-yl)boronic acid;[(2R)-1-methylpyrrolidin-2-yl]methanamine;hydroxide (CID 161160161) is lithium;3-amino-5-(3,4-difluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazine-2-carboxylic acid;1-[3-amino-5-(3,4-difluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazin-2-yl]-3-[(2R)-1-methylpyrrolidin-2-yl]propan-1-one;(3,4-difluorophenyl)boronic acid;methyl 3-amino-6-chloro-5-(3,4-difluorophenyl)pyrazine-2-carboxylate;methyl 3-amino-5,6-dichloropyrazine-2-carboxylate;methyl 3-amino-5-(3,4-difluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazine-2-carboxylate;(3-methylimidazo[1,2-a]pyridin-6-yl)boronic acid;[(2R)-1-methylpyrrolidin-2-yl]methanamine;hydroxide.

What is the SMILES notation for lithium;3-amino-5-(3,4-difluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazine-2-carboxylic acid;1-[3-amino-5-(3,4-difluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazin-2-yl]-3-[(2R)-1-methylpyrrolidin-2-yl]propan-1-one;(3,4-difluorophenyl)boronic acid;methyl 3-amino-6-chloro-5-(3,4-difluorophenyl)pyrazine-2-carboxylate;methyl 3-amino-5,6-dichloropyrazine-2-carboxylate;methyl 3-amino-5-(3,4-difluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazine-2-carboxylate;(3-methylimidazo[1,2-a]pyridin-6-yl)boronic acid;[(2R)-1-methylpyrrolidin-2-yl]methanamine;hydroxide?

The canonical SMILES for lithium;3-amino-5-(3,4-difluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazine-2-carboxylic acid;1-[3-amino-5-(3,4-difluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazin-2-yl]-3-[(2R)-1-methylpyrrolidin-2-yl]propan-1-one;(3,4-difluorophenyl)boronic acid;methyl 3-amino-6-chloro-5-(3,4-difluorophenyl)pyrazine-2-carboxylate;methyl 3-amino-5,6-dichloropyrazine-2-carboxylate;methyl 3-amino-5-(3,4-difluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazine-2-carboxylate;(3-methylimidazo[1,2-a]pyridin-6-yl)boronic acid;[(2R)-1-methylpyrrolidin-2-yl]methanamine;hydroxide is CN1CCC[C@@H]1CN.COC(=O)c1nc(-c2ccc3ncc(C)n3c2)c(-c2ccc(F)c(F)c2)nc1N.COC(=O)c1nc(Cl)c(-c2ccc(F)c(F)c2)nc1N.COC(=O)c1nc(Cl)c(Cl)nc1N.Cc1cnc2ccc(-c3nc(C(=O)CC[C@H]4CCCN4C)c(N)nc3-c3ccc(F)c(F)c3)cn12.Cc1cnc2ccc(-c3nc(C(=O)O)c(N)nc3-c3ccc(F)c(F)c3)cn12.Cc1cnc2ccc(B(O)O)cn12.OB(O)c1ccc(F)c(F)c1.[Li+].[OH-].

What is the InChIKey of lithium;3-amino-5-(3,4-difluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazine-2-carboxylic acid;1-[3-amino-5-(3,4-difluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazin-2-yl]-3-[(2R)-1-methylpyrrolidin-2-yl]propan-1-one;(3,4-difluorophenyl)boronic acid;methyl 3-amino-6-chloro-5-(3,4-difluorophenyl)pyrazine-2-carboxylate;methyl 3-amino-5,6-dichloropyrazine-2-carboxylate;methyl 3-amino-5-(3,4-difluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazine-2-carboxylate;(3-methylimidazo[1,2-a]pyridin-6-yl)boronic acid;[(2R)-1-methylpyrrolidin-2-yl]methanamine;hydroxide?

The InChIKey is UPUWPRHRJVEBHW-FDMAYGGYSA-M. The full InChI is InChI=1S/C26H26F2N6O.C20H15F2N5O2.C19H13F2N5O2.C12H8ClF2N3O2.C8H9BN2O2.C6H5BF2O2.C6H5Cl2N3O2.C6H14N2.Li.H2O/c1-15-13-30-22-10-6-17(14-34(15)22)24-23(16-5-8-19(27)20(28)12-16)32-26(29)25(31-24)21(35)9-7-18-4-3-11-33(18)2;1-10-8-24-15-6-4-12(9-27(10)15)17-16(11-3-5-13(21)14(22)7-11)26-19(23)18(25-17)20(28)29-2;1-9-7-23-14-5-3-11(8-26(9)14)16-15(10-2-4-12(20)13(21)6-10)25-18(22)17(24-16)19(27)28;1-20-12(19)9-11(16)18-8(10(13)17-9)5-2-3-6(14)7(15)4-5;1-6-4-10-8-3-2-7(9(12)13)5-11(6)8;8-5-2-1-4(7(10)11)3-6(5)9;1-13-6(12)2-5(9)11-4(8)3(7)10-2;1-8-4-2-3-6(8)5-7;;/h5-6,8,10,12-14,18H,3-4,7,9,11H2,1-2H3,(H2,29,32);3-9H,1-2H3,(H2,23,26);2-8H,1H3,(H2,22,25)(H,27,28);2-4H,1H3,(H2,16,18);2-5,12-13H,1H3;1-3,10-11H;1H3,(H2,9,11);6H,2-5,7H2,1H3;;1H2/q;;;;;;;;+1;/p-1/t18-;;;;;;;6-;;/m1......1../s1.

What are the key properties of lithium;3-amino-5-(3,4-difluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazine-2-carboxylic acid;1-[3-amino-5-(3,4-difluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazin-2-yl]-3-[(2R)-1-methylpyrrolidin-2-yl]propan-1-one;(3,4-difluorophenyl)boronic acid;methyl 3-amino-6-chloro-5-(3,4-difluorophenyl)pyrazine-2-carboxylate;methyl 3-amino-5,6-dichloropyrazine-2-carboxylate;methyl 3-amino-5-(3,4-difluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazine-2-carboxylate;(3-methylimidazo[1,2-a]pyridin-6-yl)boronic acid;[(2R)-1-methylpyrrolidin-2-yl]methanamine;hydroxide?

lithium;3-amino-5-(3,4-difluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazine-2-carboxylic acid;1-[3-amino-5-(3,4-difluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazin-2-yl]-3-[(2R)-1-methylpyrrolidin-2-yl]propan-1-one;(3,4-difluorophenyl)boronic acid;methyl 3-amino-6-chloro-5-(3,4-difluorophenyl)pyrazine-2-carboxylate;methyl 3-amino-5,6-dichloropyrazine-2-carboxylate;methyl 3-amino-5-(3,4-difluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazine-2-carboxylate;(3-methylimidazo[1,2-a]pyridin-6-yl)boronic acid;[(2R)-1-methylpyrrolidin-2-yl]methanamine;hydroxide has a molecular weight of 2246.97 g/mol, XLogP of 10.85, 18 rotatable bonds, 11 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;3-amino-5-(3,4-difluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazine-2-carboxylic acid;1-[3-amino-5-(3,4-difluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazin-2-yl]-3-[(2R)-1-methylpyrrolidin-2-yl]propan-1-one;(3,4-difluorophenyl)boronic acid;methyl 3-amino-6-chloro-5-(3,4-difluorophenyl)pyrazine-2-carboxylate;methyl 3-amino-5,6-dichloropyrazine-2-carboxylate;methyl 3-amino-5-(3,4-difluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazine-2-carboxylate;(3-methylimidazo[1,2-a]pyridin-6-yl)boronic acid;[(2R)-1-methylpyrrolidin-2-yl]methanamine;hydroxide is sourced from PubChem (CID 161160161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).