lithium;tert-butyl N-(3-propan-2-ylimidazo[1,2-a]pyridin-2-yl)carbamate;methyl 3-bromo-4-methyl-2-oxopentanoate;methyl 4-methyl-2-oxopentanoate;methyl 4-[(2-methylpropan-2-yl)oxycarbonyl-(3-propan-2-ylimidazo[1,2-a]pyridin-2-yl)sulfamoyl]benzoate;methyl 4-[(3-propan-2-ylimidazo[1,2-a]pyridin-2-yl)sulfamoyl]benzoate;methyl 4-[(3-propan-2-ylimidazo[1,2-a]pyridin-2-yl)-[[4-(trifluoromethoxy)phenyl]methyl]sulfamoyl]benzoate;3-propan-2-ylimidazo[1,2-a]pyridine-2-carboxylate;3-propan-2-ylimidazo[1,2-a]pyridine-2-carboxylic acid

C118H137BrF3LiN16O27S3 — CID 158892261

About lithium;tert-butyl N-(3-propan-2-ylimidazo[1,2-a]pyridin-2-yl)carbamate;methyl 3-bromo-4-methyl-2-oxopentanoate;methyl 4-methyl-2-oxopentanoate;methyl 4-[(2-methylpropan-2-yl)oxycarbonyl-(3-propan-2-ylimidazo[1,2-a]pyridin-2-yl)sulfamoyl]benzoate;methyl 4-[(3-propan-2-ylimidazo[1,2-a]pyridin-2-yl)sulfamoyl]benzoate;methyl 4-[(3-propan-2-ylimidazo[1,2-a]pyridin-2-yl)-[[4-(trifluoromethoxy)phenyl]methyl]sulfamoyl]benzoate;3-propan-2-ylimidazo[1,2-a]pyridine-2-carboxylate;3-propan-2-ylimidazo[1,2-a]pyridine-2-carboxylic acid

lithium;tert-butyl N-(3-propan-2-ylimidazo[1,2-a]pyridin-2-yl)carbamate;methyl 3-bromo-4-methyl-2-oxopentanoate;methyl 4-methyl-2-oxopentanoate;methyl 4-[(2-methylpropan-2-yl)oxycarbonyl-(3-propan-2-ylimidazo[1,2-a]pyridin-2-yl)sulfamoyl]benzoate;methyl 4-[(3-propan-2-ylimidazo[1,2-a]pyridin-2-yl)sulfamoyl]benzoate;methyl 4-[(3-propan-2-ylimidazo[1,2-a]pyridin-2-yl)-[[4-(trifluoromethoxy)phenyl]methyl]sulfamoyl]benzoate;3-propan-2-ylimidazo[1,2-a]pyridine-2-carboxylate;3-propan-2-ylimidazo[1,2-a]pyridine-2-carboxylic acid (PubChem CID 158892261) has the molecular formula C118H137BrF3LiN16O27S3 and a molecular weight of 2451.52 g/mol. Its IUPAC name is lithium;tert-butyl N-(3-propan-2-ylimidazo[1,2-a]pyridin-2-yl)carbamate;methyl 3-bromo-4-methyl-2-oxopentanoate;methyl 4-methyl-2-oxopentanoate;methyl 4-[(2-methylpropan-2-yl)oxycarbonyl-(3-propan-2-ylimidazo[1,2-a]pyridin-2-yl)sulfamoyl]benzoate;methyl 4-[(3-propan-2-ylimidazo[1,2-a]pyridin-2-yl)sulfamoyl]benzoate;methyl 4-[(3-propan-2-ylimidazo[1,2-a]pyridin-2-yl)-[[4-(trifluoromethoxy)phenyl]methyl]sulfamoyl]benzoate;3-propan-2-ylimidazo[1,2-a]pyridine-2-carboxylate;3-propan-2-ylimidazo[1,2-a]pyridine-2-carboxylic acid.

Molecular Properties

• Compound Name: lithium;tert-butyl N-(3-propan-2-ylimidazo[1,2-a]pyridin-2-yl)carbamate;methyl 3-bromo-4-methyl-2-oxopentanoate;methyl 4-methyl-2-oxopentanoate;methyl 4-[(2-methylpropan-2-yl)oxycarbonyl-(3-propan-2-ylimidazo[1,2-a]pyridin-2-yl)sulfamoyl]benzoate;methyl 4-[(3-propan-2-ylimidazo[1,2-a]pyridin-2-yl)sulfamoyl]benzoate;methyl 4-[(3-propan-2-ylimidazo[1,2-a]pyridin-2-yl)-[[4-(trifluoromethoxy)phenyl]methyl]sulfamoyl]benzoate;3-propan-2-ylimidazo[1,2-a]pyridine-2-carboxylate;3-propan-2-ylimidazo[1,2-a]pyridine-2-carboxylic acid
• PubChem CID: 158892261
• Molecular Formula: C118H137BrF3LiN16O27S3
• Molecular Weight: 2451.52 g/mol
• Exact Mass: 2448.83
• IUPAC Name: lithium;tert-butyl N-(3-propan-2-ylimidazo[1,2-a]pyridin-2-yl)carbamate;methyl 3-bromo-4-methyl-2-oxopentanoate;methyl 4-methyl-2-oxopentanoate;methyl 4-[(2-methylpropan-2-yl)oxycarbonyl-(3-propan-2-ylimidazo[1,2-a]pyridin-2-yl)sulfamoyl]benzoate;methyl 4-[(3-propan-2-ylimidazo[1,2-a]pyridin-2-yl)sulfamoyl]benzoate;methyl 4-[(3-propan-2-ylimidazo[1,2-a]pyridin-2-yl)-[[4-(trifluoromethoxy)phenyl]methyl]sulfamoyl]benzoate;3-propan-2-ylimidazo[1,2-a]pyridine-2-carboxylate;3-propan-2-ylimidazo[1,2-a]pyridine-2-carboxylic acid
• SMILES: CC(C)c1c(C(=O)O)nc2ccccn12.CC(C)c1c(C(=O)[O-])nc2ccccn12.CC(C)c1c(NC(=O)OC(C)(C)C)nc2ccccn12.COC(=O)C(=O)C(Br)C(C)C.COC(=O)C(=O)CC(C)C.COC(=O)c1ccc(S(=O)(=O)N(C(=O)OC(C)(C)C)c2nc3ccccn3c2C(C)C)cc1.COC(=O)c1ccc(S(=O)(=O)N(Cc2ccc(OC(F)(F)F)cc2)c2nc3ccccn3c2C(C)C)cc1.COC(=O)c1ccc(S(=O)(=O)Nc2nc3ccccn3c2C(C)C)cc1.[Li+]
• InChI: InChI=1S/C26H24F3N3O5S.C23H27N3O6S.C18H19N3O4S.C15H21N3O2.2C11H12N2O2.C7H11BrO3.C7H12O3.Li/c1-17(2)23-24(30-22-6-4-5-15-31(22)23)32(16-18-7-11-20(12-8-18)37-26(27,28)29)38(34,35)21-13-9-19(10-14-21)25(33)36-3;1-15(2)19-20(24-18-9-7-8-14-25(18)19)26(22(28)32-23(3,4)5)33(29,30)17-12-10-16(11-13-17)21(27)31-6;1-12(2)16-17(19-15-6-4-5-11-21(15)16)20-26(23,24)14-9-7-13(8-10-14)18(22)25-3;1-10(2)12-13(17-14(19)20-15(3,4)5)16-11-8-6-7-9-18(11)12;2*1-7(2)10-9(11(14)15)12-8-5-3-4-6-13(8)10;1-4(2)5(8)6(9)7(10)11-3;1-5(2)4-6(8)7(9)10-3;/h4-15,17H,16H2,1-3H3;7-15H,1-6H3;4-12,20H,1-3H3;6-10H,1-5H3,(H,17,19);2*3-7H,1-2H3,(H,14,15);4-5H,1-3H3;5H,4H2,1-3H3;/q;;;;;;;;+1/p-1
• InChIKey: PRVHQIJZVRNOEN-UHFFFAOYSA-M
• XLogP: 18.67
• TPSA: 541.66 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 38
• Rotatable Bonds: 30
• Heavy Atoms: 169
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2451.52
LogP ≤ 5	18.67
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of lithium;tert-butyl N-(3-propan-2-ylimidazo[1,2-a]pyridin-2-yl)carbamate;methyl 3-bromo-4-methyl-2-oxopentanoate;methyl 4-methyl-2-oxopentanoate;methyl 4-[(2-methylpropan-2-yl)oxycarbonyl-(3-propan-2-ylimidazo[1,2-a]pyridin-2-yl)sulfamoyl]benzoate;methyl 4-[(3-propan-2-ylimidazo[1,2-a]pyridin-2-yl)sulfamoyl]benzoate;methyl 4-[(3-propan-2-ylimidazo[1,2-a]pyridin-2-yl)-[[4-(trifluoromethoxy)phenyl]methyl]sulfamoyl]benzoate;3-propan-2-ylimidazo[1,2-a]pyridine-2-carboxylate;3-propan-2-ylimidazo[1,2-a]pyridine-2-carboxylic acid?

The IUPAC name of lithium;tert-butyl N-(3-propan-2-ylimidazo[1,2-a]pyridin-2-yl)carbamate;methyl 3-bromo-4-methyl-2-oxopentanoate;methyl 4-methyl-2-oxopentanoate;methyl 4-[(2-methylpropan-2-yl)oxycarbonyl-(3-propan-2-ylimidazo[1,2-a]pyridin-2-yl)sulfamoyl]benzoate;methyl 4-[(3-propan-2-ylimidazo[1,2-a]pyridin-2-yl)sulfamoyl]benzoate;methyl 4-[(3-propan-2-ylimidazo[1,2-a]pyridin-2-yl)-[[4-(trifluoromethoxy)phenyl]methyl]sulfamoyl]benzoate;3-propan-2-ylimidazo[1,2-a]pyridine-2-carboxylate;3-propan-2-ylimidazo[1,2-a]pyridine-2-carboxylic acid (CID 158892261) is lithium;tert-butyl N-(3-propan-2-ylimidazo[1,2-a]pyridin-2-yl)carbamate;methyl 3-bromo-4-methyl-2-oxopentanoate;methyl 4-methyl-2-oxopentanoate;methyl 4-[(2-methylpropan-2-yl)oxycarbonyl-(3-propan-2-ylimidazo[1,2-a]pyridin-2-yl)sulfamoyl]benzoate;methyl 4-[(3-propan-2-ylimidazo[1,2-a]pyridin-2-yl)sulfamoyl]benzoate;methyl 4-[(3-propan-2-ylimidazo[1,2-a]pyridin-2-yl)-[[4-(trifluoromethoxy)phenyl]methyl]sulfamoyl]benzoate;3-propan-2-ylimidazo[1,2-a]pyridine-2-carboxylate;3-propan-2-ylimidazo[1,2-a]pyridine-2-carboxylic acid.

What is the SMILES notation for lithium;tert-butyl N-(3-propan-2-ylimidazo[1,2-a]pyridin-2-yl)carbamate;methyl 3-bromo-4-methyl-2-oxopentanoate;methyl 4-methyl-2-oxopentanoate;methyl 4-[(2-methylpropan-2-yl)oxycarbonyl-(3-propan-2-ylimidazo[1,2-a]pyridin-2-yl)sulfamoyl]benzoate;methyl 4-[(3-propan-2-ylimidazo[1,2-a]pyridin-2-yl)sulfamoyl]benzoate;methyl 4-[(3-propan-2-ylimidazo[1,2-a]pyridin-2-yl)-[[4-(trifluoromethoxy)phenyl]methyl]sulfamoyl]benzoate;3-propan-2-ylimidazo[1,2-a]pyridine-2-carboxylate;3-propan-2-ylimidazo[1,2-a]pyridine-2-carboxylic acid?

The canonical SMILES for lithium;tert-butyl N-(3-propan-2-ylimidazo[1,2-a]pyridin-2-yl)carbamate;methyl 3-bromo-4-methyl-2-oxopentanoate;methyl 4-methyl-2-oxopentanoate;methyl 4-[(2-methylpropan-2-yl)oxycarbonyl-(3-propan-2-ylimidazo[1,2-a]pyridin-2-yl)sulfamoyl]benzoate;methyl 4-[(3-propan-2-ylimidazo[1,2-a]pyridin-2-yl)sulfamoyl]benzoate;methyl 4-[(3-propan-2-ylimidazo[1,2-a]pyridin-2-yl)-[[4-(trifluoromethoxy)phenyl]methyl]sulfamoyl]benzoate;3-propan-2-ylimidazo[1,2-a]pyridine-2-carboxylate;3-propan-2-ylimidazo[1,2-a]pyridine-2-carboxylic acid is CC(C)c1c(C(=O)O)nc2ccccn12.CC(C)c1c(C(=O)[O-])nc2ccccn12.CC(C)c1c(NC(=O)OC(C)(C)C)nc2ccccn12.COC(=O)C(=O)C(Br)C(C)C.COC(=O)C(=O)CC(C)C.COC(=O)c1ccc(S(=O)(=O)N(C(=O)OC(C)(C)C)c2nc3ccccn3c2C(C)C)cc1.COC(=O)c1ccc(S(=O)(=O)N(Cc2ccc(OC(F)(F)F)cc2)c2nc3ccccn3c2C(C)C)cc1.COC(=O)c1ccc(S(=O)(=O)Nc2nc3ccccn3c2C(C)C)cc1.[Li+].

What is the InChIKey of lithium;tert-butyl N-(3-propan-2-ylimidazo[1,2-a]pyridin-2-yl)carbamate;methyl 3-bromo-4-methyl-2-oxopentanoate;methyl 4-methyl-2-oxopentanoate;methyl 4-[(2-methylpropan-2-yl)oxycarbonyl-(3-propan-2-ylimidazo[1,2-a]pyridin-2-yl)sulfamoyl]benzoate;methyl 4-[(3-propan-2-ylimidazo[1,2-a]pyridin-2-yl)sulfamoyl]benzoate;methyl 4-[(3-propan-2-ylimidazo[1,2-a]pyridin-2-yl)-[[4-(trifluoromethoxy)phenyl]methyl]sulfamoyl]benzoate;3-propan-2-ylimidazo[1,2-a]pyridine-2-carboxylate;3-propan-2-ylimidazo[1,2-a]pyridine-2-carboxylic acid?

The InChIKey is PRVHQIJZVRNOEN-UHFFFAOYSA-M. The full InChI is InChI=1S/C26H24F3N3O5S.C23H27N3O6S.C18H19N3O4S.C15H21N3O2.2C11H12N2O2.C7H11BrO3.C7H12O3.Li/c1-17(2)23-24(30-22-6-4-5-15-31(22)23)32(16-18-7-11-20(12-8-18)37-26(27,28)29)38(34,35)21-13-9-19(10-14-21)25(33)36-3;1-15(2)19-20(24-18-9-7-8-14-25(18)19)26(22(28)32-23(3,4)5)33(29,30)17-12-10-16(11-13-17)21(27)31-6;1-12(2)16-17(19-15-6-4-5-11-21(15)16)20-26(23,24)14-9-7-13(8-10-14)18(22)25-3;1-10(2)12-13(17-14(19)20-15(3,4)5)16-11-8-6-7-9-18(11)12;2*1-7(2)10-9(11(14)15)12-8-5-3-4-6-13(8)10;1-4(2)5(8)6(9)7(10)11-3;1-5(2)4-6(8)7(9)10-3;/h4-15,17H,16H2,1-3H3;7-15H,1-6H3;4-12,20H,1-3H3;6-10H,1-5H3,(H,17,19);2*3-7H,1-2H3,(H,14,15);4-5H,1-3H3;5H,4H2,1-3H3;/q;;;;;;;;+1/p-1.

What are the key properties of lithium;tert-butyl N-(3-propan-2-ylimidazo[1,2-a]pyridin-2-yl)carbamate;methyl 3-bromo-4-methyl-2-oxopentanoate;methyl 4-methyl-2-oxopentanoate;methyl 4-[(2-methylpropan-2-yl)oxycarbonyl-(3-propan-2-ylimidazo[1,2-a]pyridin-2-yl)sulfamoyl]benzoate;methyl 4-[(3-propan-2-ylimidazo[1,2-a]pyridin-2-yl)sulfamoyl]benzoate;methyl 4-[(3-propan-2-ylimidazo[1,2-a]pyridin-2-yl)-[[4-(trifluoromethoxy)phenyl]methyl]sulfamoyl]benzoate;3-propan-2-ylimidazo[1,2-a]pyridine-2-carboxylate;3-propan-2-ylimidazo[1,2-a]pyridine-2-carboxylic acid?

lithium;tert-butyl N-(3-propan-2-ylimidazo[1,2-a]pyridin-2-yl)carbamate;methyl 3-bromo-4-methyl-2-oxopentanoate;methyl 4-methyl-2-oxopentanoate;methyl 4-[(2-methylpropan-2-yl)oxycarbonyl-(3-propan-2-ylimidazo[1,2-a]pyridin-2-yl)sulfamoyl]benzoate;methyl 4-[(3-propan-2-ylimidazo[1,2-a]pyridin-2-yl)sulfamoyl]benzoate;methyl 4-[(3-propan-2-ylimidazo[1,2-a]pyridin-2-yl)-[[4-(trifluoromethoxy)phenyl]methyl]sulfamoyl]benzoate;3-propan-2-ylimidazo[1,2-a]pyridine-2-carboxylate;3-propan-2-ylimidazo[1,2-a]pyridine-2-carboxylic acid has a molecular weight of 2451.52 g/mol, XLogP of 18.67, 30 rotatable bonds, 3 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;tert-butyl N-(3-propan-2-ylimidazo[1,2-a]pyridin-2-yl)carbamate;methyl 3-bromo-4-methyl-2-oxopentanoate;methyl 4-methyl-2-oxopentanoate;methyl 4-[(2-methylpropan-2-yl)oxycarbonyl-(3-propan-2-ylimidazo[1,2-a]pyridin-2-yl)sulfamoyl]benzoate;methyl 4-[(3-propan-2-ylimidazo[1,2-a]pyridin-2-yl)sulfamoyl]benzoate;methyl 4-[(3-propan-2-ylimidazo[1,2-a]pyridin-2-yl)-[[4-(trifluoromethoxy)phenyl]methyl]sulfamoyl]benzoate;3-propan-2-ylimidazo[1,2-a]pyridine-2-carboxylate;3-propan-2-ylimidazo[1,2-a]pyridine-2-carboxylic acid is sourced from PubChem (CID 158892261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).