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

C103H101B2Cl3F5LiN26O14 — CID 158920974

About lithium;3-amino-5-(3-fluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazine-2-carboxylic acid;1-[3-amino-5-(3-fluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazin-2-yl]-3-[(2R)-1-methylpyrrolidin-2-yl]propan-1-one;(3-fluorophenyl)boronic acid;methyl 3-amino-6-chloro-5-(3-fluorophenyl)pyrazine-2-carboxylate;methyl 3-amino-5,6-dichloropyrazine-2-carboxylate;methyl 3-amino-5-(3-fluorophenyl)-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-fluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazine-2-carboxylic acid;1-[3-amino-5-(3-fluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazin-2-yl]-3-[(2R)-1-methylpyrrolidin-2-yl]propan-1-one;(3-fluorophenyl)boronic acid;methyl 3-amino-6-chloro-5-(3-fluorophenyl)pyrazine-2-carboxylate;methyl 3-amino-5,6-dichloropyrazine-2-carboxylate;methyl 3-amino-5-(3-fluorophenyl)-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 158920974) has the molecular formula C103H101B2Cl3F5LiN26O14 and a molecular weight of 2157.02 g/mol. Its IUPAC name is lithium;3-amino-5-(3-fluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazine-2-carboxylic acid;1-[3-amino-5-(3-fluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazin-2-yl]-3-[(2R)-1-methylpyrrolidin-2-yl]propan-1-one;(3-fluorophenyl)boronic acid;methyl 3-amino-6-chloro-5-(3-fluorophenyl)pyrazine-2-carboxylate;methyl 3-amino-5,6-dichloropyrazine-2-carboxylate;methyl 3-amino-5-(3-fluorophenyl)-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-fluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazine-2-carboxylic acid;1-[3-amino-5-(3-fluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazin-2-yl]-3-[(2R)-1-methylpyrrolidin-2-yl]propan-1-one;(3-fluorophenyl)boronic acid;methyl 3-amino-6-chloro-5-(3-fluorophenyl)pyrazine-2-carboxylate;methyl 3-amino-5,6-dichloropyrazine-2-carboxylate;methyl 3-amino-5-(3-fluorophenyl)-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: 158920974
• Molecular Formula: C103H101B2Cl3F5LiN26O14
• Molecular Weight: 2157.02 g/mol
• Exact Mass: 2154.73
• IUPAC Name: lithium;3-amino-5-(3-fluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazine-2-carboxylic acid;1-[3-amino-5-(3-fluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazin-2-yl]-3-[(2R)-1-methylpyrrolidin-2-yl]propan-1-one;(3-fluorophenyl)boronic acid;methyl 3-amino-6-chloro-5-(3-fluorophenyl)pyrazine-2-carboxylate;methyl 3-amino-5,6-dichloropyrazine-2-carboxylate;methyl 3-amino-5-(3-fluorophenyl)-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(-c2cccc(F)c2)nc1N.COC(=O)c1nc(Cl)c(-c2cccc(F)c2)nc1N.COC(=O)c1nc(Cl)c(Cl)nc1N.Cc1cnc2ccc(-c3nc(C(=O)CC[C@H]4CCCN4C)c(N)nc3-c3cccc(F)c3)cn12.Cc1cnc2ccc(-c3nc(C(=O)O)c(N)nc3-c3cccc(F)c3)cn12.Cc1cnc2ccc(B(O)O)cn12.OB(O)c1cccc(F)c1.[Li+].[OH-]
• InChI: InChI=1S/C26H27FN6O.C20H16FN5O2.C19H14FN5O2.C12H9ClFN3O2.C8H9BN2O2.C6H6BFO2.C6H5Cl2N3O2.C6H14N2.Li.H2O/c1-16-14-29-22-11-8-18(15-33(16)22)24-23(17-5-3-6-19(27)13-17)31-26(28)25(30-24)21(34)10-9-20-7-4-12-32(20)2;1-11-9-23-15-7-6-13(10-26(11)15)17-16(12-4-3-5-14(21)8-12)25-19(22)18(24-17)20(27)28-2;1-10-8-22-14-6-5-12(9-25(10)14)16-15(11-3-2-4-13(20)7-11)24-18(21)17(23-16)19(26)27;1-19-12(18)9-11(15)17-8(10(13)16-9)6-3-2-4-7(14)5-6;1-6-4-10-8-3-2-7(9(12)13)5-11(6)8;8-6-3-1-2-5(4-6)7(9)10;1-13-6(12)2-5(9)11-4(8)3(7)10-2;1-8-4-2-3-6(8)5-7;;/h3,5-6,8,11,13-15,20H,4,7,9-10,12H2,1-2H3,(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);2-5,12-13H,1H3;1-4,9-10H;1H3,(H2,9,11);6H,2-5,7H2,1H3;;1H2/q;;;;;;;;+1;/p-1/t20-;;;;;;;6-;;/m1......1../s1
• InChIKey: JHVFKDKMCONQGI-QHESLIGZSA-M
• XLogP: 10.16
• TPSA: 604.89 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 39
• Rotatable Bonds: 18
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2157.02
LogP ≤ 5	10.16
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-fluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazine-2-carboxylic acid;1-[3-amino-5-(3-fluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazin-2-yl]-3-[(2R)-1-methylpyrrolidin-2-yl]propan-1-one;(3-fluorophenyl)boronic acid;methyl 3-amino-6-chloro-5-(3-fluorophenyl)pyrazine-2-carboxylate;methyl 3-amino-5,6-dichloropyrazine-2-carboxylate;methyl 3-amino-5-(3-fluorophenyl)-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-fluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazine-2-carboxylic acid;1-[3-amino-5-(3-fluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazin-2-yl]-3-[(2R)-1-methylpyrrolidin-2-yl]propan-1-one;(3-fluorophenyl)boronic acid;methyl 3-amino-6-chloro-5-(3-fluorophenyl)pyrazine-2-carboxylate;methyl 3-amino-5,6-dichloropyrazine-2-carboxylate;methyl 3-amino-5-(3-fluorophenyl)-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 158920974) is lithium;3-amino-5-(3-fluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazine-2-carboxylic acid;1-[3-amino-5-(3-fluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazin-2-yl]-3-[(2R)-1-methylpyrrolidin-2-yl]propan-1-one;(3-fluorophenyl)boronic acid;methyl 3-amino-6-chloro-5-(3-fluorophenyl)pyrazine-2-carboxylate;methyl 3-amino-5,6-dichloropyrazine-2-carboxylate;methyl 3-amino-5-(3-fluorophenyl)-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-fluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazine-2-carboxylic acid;1-[3-amino-5-(3-fluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazin-2-yl]-3-[(2R)-1-methylpyrrolidin-2-yl]propan-1-one;(3-fluorophenyl)boronic acid;methyl 3-amino-6-chloro-5-(3-fluorophenyl)pyrazine-2-carboxylate;methyl 3-amino-5,6-dichloropyrazine-2-carboxylate;methyl 3-amino-5-(3-fluorophenyl)-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-fluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazine-2-carboxylic acid;1-[3-amino-5-(3-fluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazin-2-yl]-3-[(2R)-1-methylpyrrolidin-2-yl]propan-1-one;(3-fluorophenyl)boronic acid;methyl 3-amino-6-chloro-5-(3-fluorophenyl)pyrazine-2-carboxylate;methyl 3-amino-5,6-dichloropyrazine-2-carboxylate;methyl 3-amino-5-(3-fluorophenyl)-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(-c2cccc(F)c2)nc1N.COC(=O)c1nc(Cl)c(-c2cccc(F)c2)nc1N.COC(=O)c1nc(Cl)c(Cl)nc1N.Cc1cnc2ccc(-c3nc(C(=O)CC[C@H]4CCCN4C)c(N)nc3-c3cccc(F)c3)cn12.Cc1cnc2ccc(-c3nc(C(=O)O)c(N)nc3-c3cccc(F)c3)cn12.Cc1cnc2ccc(B(O)O)cn12.OB(O)c1cccc(F)c1.[Li+].[OH-].

What is the InChIKey of lithium;3-amino-5-(3-fluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazine-2-carboxylic acid;1-[3-amino-5-(3-fluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazin-2-yl]-3-[(2R)-1-methylpyrrolidin-2-yl]propan-1-one;(3-fluorophenyl)boronic acid;methyl 3-amino-6-chloro-5-(3-fluorophenyl)pyrazine-2-carboxylate;methyl 3-amino-5,6-dichloropyrazine-2-carboxylate;methyl 3-amino-5-(3-fluorophenyl)-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 JHVFKDKMCONQGI-QHESLIGZSA-M. The full InChI is InChI=1S/C26H27FN6O.C20H16FN5O2.C19H14FN5O2.C12H9ClFN3O2.C8H9BN2O2.C6H6BFO2.C6H5Cl2N3O2.C6H14N2.Li.H2O/c1-16-14-29-22-11-8-18(15-33(16)22)24-23(17-5-3-6-19(27)13-17)31-26(28)25(30-24)21(34)10-9-20-7-4-12-32(20)2;1-11-9-23-15-7-6-13(10-26(11)15)17-16(12-4-3-5-14(21)8-12)25-19(22)18(24-17)20(27)28-2;1-10-8-22-14-6-5-12(9-25(10)14)16-15(11-3-2-4-13(20)7-11)24-18(21)17(23-16)19(26)27;1-19-12(18)9-11(15)17-8(10(13)16-9)6-3-2-4-7(14)5-6;1-6-4-10-8-3-2-7(9(12)13)5-11(6)8;8-6-3-1-2-5(4-6)7(9)10;1-13-6(12)2-5(9)11-4(8)3(7)10-2;1-8-4-2-3-6(8)5-7;;/h3,5-6,8,11,13-15,20H,4,7,9-10,12H2,1-2H3,(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);2-5,12-13H,1H3;1-4,9-10H;1H3,(H2,9,11);6H,2-5,7H2,1H3;;1H2/q;;;;;;;;+1;/p-1/t20-;;;;;;;6-;;/m1......1../s1.

What are the key properties of lithium;3-amino-5-(3-fluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazine-2-carboxylic acid;1-[3-amino-5-(3-fluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazin-2-yl]-3-[(2R)-1-methylpyrrolidin-2-yl]propan-1-one;(3-fluorophenyl)boronic acid;methyl 3-amino-6-chloro-5-(3-fluorophenyl)pyrazine-2-carboxylate;methyl 3-amino-5,6-dichloropyrazine-2-carboxylate;methyl 3-amino-5-(3-fluorophenyl)-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-fluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazine-2-carboxylic acid;1-[3-amino-5-(3-fluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazin-2-yl]-3-[(2R)-1-methylpyrrolidin-2-yl]propan-1-one;(3-fluorophenyl)boronic acid;methyl 3-amino-6-chloro-5-(3-fluorophenyl)pyrazine-2-carboxylate;methyl 3-amino-5,6-dichloropyrazine-2-carboxylate;methyl 3-amino-5-(3-fluorophenyl)-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 2157.02 g/mol, XLogP of 10.16, 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-fluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazine-2-carboxylic acid;1-[3-amino-5-(3-fluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazin-2-yl]-3-[(2R)-1-methylpyrrolidin-2-yl]propan-1-one;(3-fluorophenyl)boronic acid;methyl 3-amino-6-chloro-5-(3-fluorophenyl)pyrazine-2-carboxylate;methyl 3-amino-5,6-dichloropyrazine-2-carboxylate;methyl 3-amino-5-(3-fluorophenyl)-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 158920974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).