lithium;6-bromoimidazo[1,2-a]pyridine;4-[3-(4-cyanophenyl)imidazo[1,2-a]pyridin-6-yl]-2-fluorobenzoic acid;(4-ethoxycarbonyl-3-fluorophenyl)boronic acid;ethyl 4-[3-(4-cyanophenyl)imidazo[1,2-a]pyridin-6-yl]-2-fluorobenzoate;ethyl 2-fluoro-4-imidazo[1,2-a]pyridin-6-ylbenzoate;ethyl 2-fluoro-4-(3-iodoimidazo[1,2-a]pyridin-6-yl)benzoate;4-[6-[3-fluoro-4-(4-methylpiperazine-1-carbonyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile;(4-isocyanophenyl)boronic acid;1-methylpiperidine;hydroxide

C131H110B2BrF6ILiN19O16 — CID 157390537

About lithium;6-bromoimidazo[1,2-a]pyridine;4-[3-(4-cyanophenyl)imidazo[1,2-a]pyridin-6-yl]-2-fluorobenzoic acid;(4-ethoxycarbonyl-3-fluorophenyl)boronic acid;ethyl 4-[3-(4-cyanophenyl)imidazo[1,2-a]pyridin-6-yl]-2-fluorobenzoate;ethyl 2-fluoro-4-imidazo[1,2-a]pyridin-6-ylbenzoate;ethyl 2-fluoro-4-(3-iodoimidazo[1,2-a]pyridin-6-yl)benzoate;4-[6-[3-fluoro-4-(4-methylpiperazine-1-carbonyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile;(4-isocyanophenyl)boronic acid;1-methylpiperidine;hydroxide

lithium;6-bromoimidazo[1,2-a]pyridine;4-[3-(4-cyanophenyl)imidazo[1,2-a]pyridin-6-yl]-2-fluorobenzoic acid;(4-ethoxycarbonyl-3-fluorophenyl)boronic acid;ethyl 4-[3-(4-cyanophenyl)imidazo[1,2-a]pyridin-6-yl]-2-fluorobenzoate;ethyl 2-fluoro-4-imidazo[1,2-a]pyridin-6-ylbenzoate;ethyl 2-fluoro-4-(3-iodoimidazo[1,2-a]pyridin-6-yl)benzoate;4-[6-[3-fluoro-4-(4-methylpiperazine-1-carbonyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile;(4-isocyanophenyl)boronic acid;1-methylpiperidine;hydroxide (PubChem CID 157390537) has the molecular formula C131H110B2BrF6ILiN19O16 and a molecular weight of 2555.80 g/mol. Its IUPAC name is lithium;6-bromoimidazo[1,2-a]pyridine;4-[3-(4-cyanophenyl)imidazo[1,2-a]pyridin-6-yl]-2-fluorobenzoic acid;(4-ethoxycarbonyl-3-fluorophenyl)boronic acid;ethyl 4-[3-(4-cyanophenyl)imidazo[1,2-a]pyridin-6-yl]-2-fluorobenzoate;ethyl 2-fluoro-4-imidazo[1,2-a]pyridin-6-ylbenzoate;ethyl 2-fluoro-4-(3-iodoimidazo[1,2-a]pyridin-6-yl)benzoate;4-[6-[3-fluoro-4-(4-methylpiperazine-1-carbonyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile;(4-isocyanophenyl)boronic acid;1-methylpiperidine;hydroxide.

Molecular Properties

• Compound Name: lithium;6-bromoimidazo[1,2-a]pyridine;4-[3-(4-cyanophenyl)imidazo[1,2-a]pyridin-6-yl]-2-fluorobenzoic acid;(4-ethoxycarbonyl-3-fluorophenyl)boronic acid;ethyl 4-[3-(4-cyanophenyl)imidazo[1,2-a]pyridin-6-yl]-2-fluorobenzoate;ethyl 2-fluoro-4-imidazo[1,2-a]pyridin-6-ylbenzoate;ethyl 2-fluoro-4-(3-iodoimidazo[1,2-a]pyridin-6-yl)benzoate;4-[6-[3-fluoro-4-(4-methylpiperazine-1-carbonyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile;(4-isocyanophenyl)boronic acid;1-methylpiperidine;hydroxide
• PubChem CID: 157390537
• Molecular Formula: C131H110B2BrF6ILiN19O16
• Molecular Weight: 2555.80 g/mol
• Exact Mass: 2553.69
• IUPAC Name: lithium;6-bromoimidazo[1,2-a]pyridine;4-[3-(4-cyanophenyl)imidazo[1,2-a]pyridin-6-yl]-2-fluorobenzoic acid;(4-ethoxycarbonyl-3-fluorophenyl)boronic acid;ethyl 4-[3-(4-cyanophenyl)imidazo[1,2-a]pyridin-6-yl]-2-fluorobenzoate;ethyl 2-fluoro-4-imidazo[1,2-a]pyridin-6-ylbenzoate;ethyl 2-fluoro-4-(3-iodoimidazo[1,2-a]pyridin-6-yl)benzoate;4-[6-[3-fluoro-4-(4-methylpiperazine-1-carbonyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile;(4-isocyanophenyl)boronic acid;1-methylpiperidine;hydroxide
• SMILES: Brc1ccc2nccn2c1.CCOC(=O)c1ccc(-c2ccc3ncc(-c4ccc(C#N)cc4)n3c2)cc1F.CCOC(=O)c1ccc(-c2ccc3ncc(I)n3c2)cc1F.CCOC(=O)c1ccc(-c2ccc3nccn3c2)cc1F.CCOC(=O)c1ccc(B(O)O)cc1F.CN1CCCCC1.CN1CCN(C(=O)c2ccc(-c3ccc4ncc(-c5ccc(C#N)cc5)n4c3)cc2F)CC1.N#Cc1ccc(-c2cnc3ccc(-c4ccc(C(=O)O)c(F)c4)cn23)cc1.[C-]#[N+]c1ccc(B(O)O)cc1.[Li+].[OH-]
• InChI: InChI=1S/C26H22FN5O.C23H16FN3O2.C21H12FN3O2.C16H12FIN2O2.C16H13FN2O2.C9H10BFO4.C7H6BNO2.C7H5BrN2.C6H13N.Li.H2O/c1-30-10-12-31(13-11-30)26(33)22-8-6-20(14-23(22)27)21-7-9-25-29-16-24(32(25)17-21)19-4-2-18(15-28)3-5-19;1-2-29-23(28)19-9-7-17(11-20(19)24)18-8-10-22-26-13-21(27(22)14-18)16-5-3-15(12-25)4-6-16;22-18-9-15(5-7-17(18)21(26)27)16-6-8-20-24-11-19(25(20)12-16)14-3-1-13(10-23)2-4-14;1-2-22-16(21)12-5-3-10(7-13(12)17)11-4-6-15-19-8-14(18)20(15)9-11;1-2-21-16(20)13-5-3-11(9-14(13)17)12-4-6-15-18-7-8-19(15)10-12;1-2-15-9(12)7-4-3-6(10(13)14)5-8(7)11;1-9-7-4-2-6(3-5-7)8(10)11;8-6-1-2-7-9-3-4-10(7)5-6;1-7-5-3-2-4-6-7;;/h2-9,14,16-17H,10-13H2,1H3;3-11,13-14H,2H2,1H3;1-9,11-12H,(H,26,27);3-9H,2H2,1H3;3-10H,2H2,1H3;3-5,13-14H,2H2,1H3;2-5,10-11H;1-5H;2-6H2,1H3;;1H2/q;;;;;;;;;+1;/p-1
• InChIKey: BLYKCBWXLPRQFX-UHFFFAOYSA-M
• XLogP: 20.16
• TPSA: 459.74 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 32
• Rotatable Bonds: 20
• Heavy Atoms: 177
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2555.80
LogP ≤ 5	20.16
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of lithium;6-bromoimidazo[1,2-a]pyridine;4-[3-(4-cyanophenyl)imidazo[1,2-a]pyridin-6-yl]-2-fluorobenzoic acid;(4-ethoxycarbonyl-3-fluorophenyl)boronic acid;ethyl 4-[3-(4-cyanophenyl)imidazo[1,2-a]pyridin-6-yl]-2-fluorobenzoate;ethyl 2-fluoro-4-imidazo[1,2-a]pyridin-6-ylbenzoate;ethyl 2-fluoro-4-(3-iodoimidazo[1,2-a]pyridin-6-yl)benzoate;4-[6-[3-fluoro-4-(4-methylpiperazine-1-carbonyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile;(4-isocyanophenyl)boronic acid;1-methylpiperidine;hydroxide?

The IUPAC name of lithium;6-bromoimidazo[1,2-a]pyridine;4-[3-(4-cyanophenyl)imidazo[1,2-a]pyridin-6-yl]-2-fluorobenzoic acid;(4-ethoxycarbonyl-3-fluorophenyl)boronic acid;ethyl 4-[3-(4-cyanophenyl)imidazo[1,2-a]pyridin-6-yl]-2-fluorobenzoate;ethyl 2-fluoro-4-imidazo[1,2-a]pyridin-6-ylbenzoate;ethyl 2-fluoro-4-(3-iodoimidazo[1,2-a]pyridin-6-yl)benzoate;4-[6-[3-fluoro-4-(4-methylpiperazine-1-carbonyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile;(4-isocyanophenyl)boronic acid;1-methylpiperidine;hydroxide (CID 157390537) is lithium;6-bromoimidazo[1,2-a]pyridine;4-[3-(4-cyanophenyl)imidazo[1,2-a]pyridin-6-yl]-2-fluorobenzoic acid;(4-ethoxycarbonyl-3-fluorophenyl)boronic acid;ethyl 4-[3-(4-cyanophenyl)imidazo[1,2-a]pyridin-6-yl]-2-fluorobenzoate;ethyl 2-fluoro-4-imidazo[1,2-a]pyridin-6-ylbenzoate;ethyl 2-fluoro-4-(3-iodoimidazo[1,2-a]pyridin-6-yl)benzoate;4-[6-[3-fluoro-4-(4-methylpiperazine-1-carbonyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile;(4-isocyanophenyl)boronic acid;1-methylpiperidine;hydroxide.

What is the SMILES notation for lithium;6-bromoimidazo[1,2-a]pyridine;4-[3-(4-cyanophenyl)imidazo[1,2-a]pyridin-6-yl]-2-fluorobenzoic acid;(4-ethoxycarbonyl-3-fluorophenyl)boronic acid;ethyl 4-[3-(4-cyanophenyl)imidazo[1,2-a]pyridin-6-yl]-2-fluorobenzoate;ethyl 2-fluoro-4-imidazo[1,2-a]pyridin-6-ylbenzoate;ethyl 2-fluoro-4-(3-iodoimidazo[1,2-a]pyridin-6-yl)benzoate;4-[6-[3-fluoro-4-(4-methylpiperazine-1-carbonyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile;(4-isocyanophenyl)boronic acid;1-methylpiperidine;hydroxide?

The canonical SMILES for lithium;6-bromoimidazo[1,2-a]pyridine;4-[3-(4-cyanophenyl)imidazo[1,2-a]pyridin-6-yl]-2-fluorobenzoic acid;(4-ethoxycarbonyl-3-fluorophenyl)boronic acid;ethyl 4-[3-(4-cyanophenyl)imidazo[1,2-a]pyridin-6-yl]-2-fluorobenzoate;ethyl 2-fluoro-4-imidazo[1,2-a]pyridin-6-ylbenzoate;ethyl 2-fluoro-4-(3-iodoimidazo[1,2-a]pyridin-6-yl)benzoate;4-[6-[3-fluoro-4-(4-methylpiperazine-1-carbonyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile;(4-isocyanophenyl)boronic acid;1-methylpiperidine;hydroxide is Brc1ccc2nccn2c1.CCOC(=O)c1ccc(-c2ccc3ncc(-c4ccc(C#N)cc4)n3c2)cc1F.CCOC(=O)c1ccc(-c2ccc3ncc(I)n3c2)cc1F.CCOC(=O)c1ccc(-c2ccc3nccn3c2)cc1F.CCOC(=O)c1ccc(B(O)O)cc1F.CN1CCCCC1.CN1CCN(C(=O)c2ccc(-c3ccc4ncc(-c5ccc(C#N)cc5)n4c3)cc2F)CC1.N#Cc1ccc(-c2cnc3ccc(-c4ccc(C(=O)O)c(F)c4)cn23)cc1.[C-]#[N+]c1ccc(B(O)O)cc1.[Li+].[OH-].

What is the InChIKey of lithium;6-bromoimidazo[1,2-a]pyridine;4-[3-(4-cyanophenyl)imidazo[1,2-a]pyridin-6-yl]-2-fluorobenzoic acid;(4-ethoxycarbonyl-3-fluorophenyl)boronic acid;ethyl 4-[3-(4-cyanophenyl)imidazo[1,2-a]pyridin-6-yl]-2-fluorobenzoate;ethyl 2-fluoro-4-imidazo[1,2-a]pyridin-6-ylbenzoate;ethyl 2-fluoro-4-(3-iodoimidazo[1,2-a]pyridin-6-yl)benzoate;4-[6-[3-fluoro-4-(4-methylpiperazine-1-carbonyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile;(4-isocyanophenyl)boronic acid;1-methylpiperidine;hydroxide?

The InChIKey is BLYKCBWXLPRQFX-UHFFFAOYSA-M. The full InChI is InChI=1S/C26H22FN5O.C23H16FN3O2.C21H12FN3O2.C16H12FIN2O2.C16H13FN2O2.C9H10BFO4.C7H6BNO2.C7H5BrN2.C6H13N.Li.H2O/c1-30-10-12-31(13-11-30)26(33)22-8-6-20(14-23(22)27)21-7-9-25-29-16-24(32(25)17-21)19-4-2-18(15-28)3-5-19;1-2-29-23(28)19-9-7-17(11-20(19)24)18-8-10-22-26-13-21(27(22)14-18)16-5-3-15(12-25)4-6-16;22-18-9-15(5-7-17(18)21(26)27)16-6-8-20-24-11-19(25(20)12-16)14-3-1-13(10-23)2-4-14;1-2-22-16(21)12-5-3-10(7-13(12)17)11-4-6-15-19-8-14(18)20(15)9-11;1-2-21-16(20)13-5-3-11(9-14(13)17)12-4-6-15-18-7-8-19(15)10-12;1-2-15-9(12)7-4-3-6(10(13)14)5-8(7)11;1-9-7-4-2-6(3-5-7)8(10)11;8-6-1-2-7-9-3-4-10(7)5-6;1-7-5-3-2-4-6-7;;/h2-9,14,16-17H,10-13H2,1H3;3-11,13-14H,2H2,1H3;1-9,11-12H,(H,26,27);3-9H,2H2,1H3;3-10H,2H2,1H3;3-5,13-14H,2H2,1H3;2-5,10-11H;1-5H;2-6H2,1H3;;1H2/q;;;;;;;;;+1;/p-1.

What are the key properties of lithium;6-bromoimidazo[1,2-a]pyridine;4-[3-(4-cyanophenyl)imidazo[1,2-a]pyridin-6-yl]-2-fluorobenzoic acid;(4-ethoxycarbonyl-3-fluorophenyl)boronic acid;ethyl 4-[3-(4-cyanophenyl)imidazo[1,2-a]pyridin-6-yl]-2-fluorobenzoate;ethyl 2-fluoro-4-imidazo[1,2-a]pyridin-6-ylbenzoate;ethyl 2-fluoro-4-(3-iodoimidazo[1,2-a]pyridin-6-yl)benzoate;4-[6-[3-fluoro-4-(4-methylpiperazine-1-carbonyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile;(4-isocyanophenyl)boronic acid;1-methylpiperidine;hydroxide?

lithium;6-bromoimidazo[1,2-a]pyridine;4-[3-(4-cyanophenyl)imidazo[1,2-a]pyridin-6-yl]-2-fluorobenzoic acid;(4-ethoxycarbonyl-3-fluorophenyl)boronic acid;ethyl 4-[3-(4-cyanophenyl)imidazo[1,2-a]pyridin-6-yl]-2-fluorobenzoate;ethyl 2-fluoro-4-imidazo[1,2-a]pyridin-6-ylbenzoate;ethyl 2-fluoro-4-(3-iodoimidazo[1,2-a]pyridin-6-yl)benzoate;4-[6-[3-fluoro-4-(4-methylpiperazine-1-carbonyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile;(4-isocyanophenyl)boronic acid;1-methylpiperidine;hydroxide has a molecular weight of 2555.80 g/mol, XLogP of 20.16, 20 rotatable bonds, 5 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;6-bromoimidazo[1,2-a]pyridine;4-[3-(4-cyanophenyl)imidazo[1,2-a]pyridin-6-yl]-2-fluorobenzoic acid;(4-ethoxycarbonyl-3-fluorophenyl)boronic acid;ethyl 4-[3-(4-cyanophenyl)imidazo[1,2-a]pyridin-6-yl]-2-fluorobenzoate;ethyl 2-fluoro-4-imidazo[1,2-a]pyridin-6-ylbenzoate;ethyl 2-fluoro-4-(3-iodoimidazo[1,2-a]pyridin-6-yl)benzoate;4-[6-[3-fluoro-4-(4-methylpiperazine-1-carbonyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile;(4-isocyanophenyl)boronic acid;1-methylpiperidine;hydroxide is sourced from PubChem (CID 157390537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).