sodium;tert-butyl N-(3-methylimidazo[1,2-a]pyridin-2-yl)carbamate;ethyl 3-bromo-2-oxobutanoate;ethyl 3-methylimidazo[1,2-a]pyridine-2-carboxylate;ethyl 2-oxobutanoate;3-methylimidazo[1,2-a]pyridine-2-carboxylic acid;4-[(3-methylimidazo[1,2-a]pyridin-2-yl)-[[4-(trifluoromethoxy)phenyl]methyl]sulfamoyl]benzoate;methyl 4-[(3-methylimidazo[1,2-a]pyridin-2-yl)-[(2-methylpropan-2-yl)oxycarbonyl]sulfamoyl]benzoate;methyl 4-[(3-methylimidazo[1,2-a]pyridin-2-yl)sulfamoyl]benzoate;methyl 4-[(3-methylimidazo[1,2-a]pyridin-2-yl)-[[4-(trifluoromethoxy)phenyl]methyl]sulfamoyl]benzoate

C129H131BrF6N19NaO32S4 — CID 159822768

About sodium;tert-butyl N-(3-methylimidazo[1,2-a]pyridin-2-yl)carbamate;ethyl 3-bromo-2-oxobutanoate;ethyl 3-methylimidazo[1,2-a]pyridine-2-carboxylate;ethyl 2-oxobutanoate;3-methylimidazo[1,2-a]pyridine-2-carboxylic acid;4-[(3-methylimidazo[1,2-a]pyridin-2-yl)-[[4-(trifluoromethoxy)phenyl]methyl]sulfamoyl]benzoate;methyl 4-[(3-methylimidazo[1,2-a]pyridin-2-yl)-[(2-methylpropan-2-yl)oxycarbonyl]sulfamoyl]benzoate;methyl 4-[(3-methylimidazo[1,2-a]pyridin-2-yl)sulfamoyl]benzoate;methyl 4-[(3-methylimidazo[1,2-a]pyridin-2-yl)-[[4-(trifluoromethoxy)phenyl]methyl]sulfamoyl]benzoate

sodium;tert-butyl N-(3-methylimidazo[1,2-a]pyridin-2-yl)carbamate;ethyl 3-bromo-2-oxobutanoate;ethyl 3-methylimidazo[1,2-a]pyridine-2-carboxylate;ethyl 2-oxobutanoate;3-methylimidazo[1,2-a]pyridine-2-carboxylic acid;4-[(3-methylimidazo[1,2-a]pyridin-2-yl)-[[4-(trifluoromethoxy)phenyl]methyl]sulfamoyl]benzoate;methyl 4-[(3-methylimidazo[1,2-a]pyridin-2-yl)-[(2-methylpropan-2-yl)oxycarbonyl]sulfamoyl]benzoate;methyl 4-[(3-methylimidazo[1,2-a]pyridin-2-yl)sulfamoyl]benzoate;methyl 4-[(3-methylimidazo[1,2-a]pyridin-2-yl)-[[4-(trifluoromethoxy)phenyl]methyl]sulfamoyl]benzoate (PubChem CID 159822768) has the molecular formula C129H131BrF6N19NaO32S4 and a molecular weight of 2804.72 g/mol. Its IUPAC name is sodium;tert-butyl N-(3-methylimidazo[1,2-a]pyridin-2-yl)carbamate;ethyl 3-bromo-2-oxobutanoate;ethyl 3-methylimidazo[1,2-a]pyridine-2-carboxylate;ethyl 2-oxobutanoate;3-methylimidazo[1,2-a]pyridine-2-carboxylic acid;4-[(3-methylimidazo[1,2-a]pyridin-2-yl)-[[4-(trifluoromethoxy)phenyl]methyl]sulfamoyl]benzoate;methyl 4-[(3-methylimidazo[1,2-a]pyridin-2-yl)-[(2-methylpropan-2-yl)oxycarbonyl]sulfamoyl]benzoate;methyl 4-[(3-methylimidazo[1,2-a]pyridin-2-yl)sulfamoyl]benzoate;methyl 4-[(3-methylimidazo[1,2-a]pyridin-2-yl)-[[4-(trifluoromethoxy)phenyl]methyl]sulfamoyl]benzoate.

Molecular Properties

• Compound Name: sodium;tert-butyl N-(3-methylimidazo[1,2-a]pyridin-2-yl)carbamate;ethyl 3-bromo-2-oxobutanoate;ethyl 3-methylimidazo[1,2-a]pyridine-2-carboxylate;ethyl 2-oxobutanoate;3-methylimidazo[1,2-a]pyridine-2-carboxylic acid;4-[(3-methylimidazo[1,2-a]pyridin-2-yl)-[[4-(trifluoromethoxy)phenyl]methyl]sulfamoyl]benzoate;methyl 4-[(3-methylimidazo[1,2-a]pyridin-2-yl)-[(2-methylpropan-2-yl)oxycarbonyl]sulfamoyl]benzoate;methyl 4-[(3-methylimidazo[1,2-a]pyridin-2-yl)sulfamoyl]benzoate;methyl 4-[(3-methylimidazo[1,2-a]pyridin-2-yl)-[[4-(trifluoromethoxy)phenyl]methyl]sulfamoyl]benzoate
• PubChem CID: 159822768
• Molecular Formula: C129H131BrF6N19NaO32S4
• Molecular Weight: 2804.72 g/mol
• Exact Mass: 2801.71
• IUPAC Name: sodium;tert-butyl N-(3-methylimidazo[1,2-a]pyridin-2-yl)carbamate;ethyl 3-bromo-2-oxobutanoate;ethyl 3-methylimidazo[1,2-a]pyridine-2-carboxylate;ethyl 2-oxobutanoate;3-methylimidazo[1,2-a]pyridine-2-carboxylic acid;4-[(3-methylimidazo[1,2-a]pyridin-2-yl)-[[4-(trifluoromethoxy)phenyl]methyl]sulfamoyl]benzoate;methyl 4-[(3-methylimidazo[1,2-a]pyridin-2-yl)-[(2-methylpropan-2-yl)oxycarbonyl]sulfamoyl]benzoate;methyl 4-[(3-methylimidazo[1,2-a]pyridin-2-yl)sulfamoyl]benzoate;methyl 4-[(3-methylimidazo[1,2-a]pyridin-2-yl)-[[4-(trifluoromethoxy)phenyl]methyl]sulfamoyl]benzoate
• SMILES: CCOC(=O)C(=O)C(C)Br.CCOC(=O)C(=O)CC.CCOC(=O)c1nc2ccccn2c1C.COC(=O)c1ccc(S(=O)(=O)N(C(=O)OC(C)(C)C)c2nc3ccccn3c2C)cc1.COC(=O)c1ccc(S(=O)(=O)N(Cc2ccc(OC(F)(F)F)cc2)c2nc3ccccn3c2C)cc1.COC(=O)c1ccc(S(=O)(=O)Nc2nc3ccccn3c2C)cc1.Cc1c(C(=O)O)nc2ccccn12.Cc1c(N(Cc2ccc(OC(F)(F)F)cc2)S(=O)(=O)c2ccc(C(=O)[O-])cc2)nc2ccccn12.Cc1c(NC(=O)OC(C)(C)C)nc2ccccn12.[Na+]
• InChI: InChI=1S/C24H20F3N3O5S.C23H18F3N3O5S.C21H23N3O6S.C16H15N3O4S.C13H17N3O2.C11H12N2O2.C9H8N2O2.C6H9BrO3.C6H10O3.Na/c1-16-22(28-21-5-3-4-14-29(16)21)30(15-17-6-10-19(11-7-17)35-24(25,26)27)36(32,33)20-12-8-18(9-13-20)23(31)34-2;1-15-21(27-20-4-2-3-13-28(15)20)29(14-16-5-9-18(10-6-16)34-23(24,25)26)35(32,33)19-11-7-17(8-12-19)22(30)31;1-14-18(22-17-8-6-7-13-23(14)17)24(20(26)30-21(2,3)4)31(27,28)16-11-9-15(10-12-16)19(25)29-5;1-11-15(17-14-5-3-4-10-19(11)14)18-24(21,22)13-8-6-12(7-9-13)16(20)23-2;1-9-11(15-12(17)18-13(2,3)4)14-10-7-5-6-8-16(9)10;1-3-15-11(14)10-8(2)13-7-5-4-6-9(13)12-10;1-6-8(9(12)13)10-7-4-2-3-5-11(6)7;1-3-10-6(9)5(8)4(2)7;1-3-5(7)6(8)9-4-2;/h3-14H,15H2,1-2H3;2-13H,14H2,1H3,(H,30,31);6-13H,1-5H3;3-10,18H,1-2H3;5-8H,1-4H3,(H,15,17);4-7H,3H2,1-2H3;2-5H,1H3,(H,12,13);4H,3H2,1-2H3;3-4H2,1-2H3;/q;;;;;;;;;+1/p-1
• InChIKey: NMLLLDIEOWBHRN-UHFFFAOYSA-M
• XLogP: 18.40
• TPSA: 631.87 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 45
• Rotatable Bonds: 32
• Heavy Atoms: 192
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2804.72
LogP ≤ 5	18.40
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	45

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 sodium;tert-butyl N-(3-methylimidazo[1,2-a]pyridin-2-yl)carbamate;ethyl 3-bromo-2-oxobutanoate;ethyl 3-methylimidazo[1,2-a]pyridine-2-carboxylate;ethyl 2-oxobutanoate;3-methylimidazo[1,2-a]pyridine-2-carboxylic acid;4-[(3-methylimidazo[1,2-a]pyridin-2-yl)-[[4-(trifluoromethoxy)phenyl]methyl]sulfamoyl]benzoate;methyl 4-[(3-methylimidazo[1,2-a]pyridin-2-yl)-[(2-methylpropan-2-yl)oxycarbonyl]sulfamoyl]benzoate;methyl 4-[(3-methylimidazo[1,2-a]pyridin-2-yl)sulfamoyl]benzoate;methyl 4-[(3-methylimidazo[1,2-a]pyridin-2-yl)-[[4-(trifluoromethoxy)phenyl]methyl]sulfamoyl]benzoate?

The IUPAC name of sodium;tert-butyl N-(3-methylimidazo[1,2-a]pyridin-2-yl)carbamate;ethyl 3-bromo-2-oxobutanoate;ethyl 3-methylimidazo[1,2-a]pyridine-2-carboxylate;ethyl 2-oxobutanoate;3-methylimidazo[1,2-a]pyridine-2-carboxylic acid;4-[(3-methylimidazo[1,2-a]pyridin-2-yl)-[[4-(trifluoromethoxy)phenyl]methyl]sulfamoyl]benzoate;methyl 4-[(3-methylimidazo[1,2-a]pyridin-2-yl)-[(2-methylpropan-2-yl)oxycarbonyl]sulfamoyl]benzoate;methyl 4-[(3-methylimidazo[1,2-a]pyridin-2-yl)sulfamoyl]benzoate;methyl 4-[(3-methylimidazo[1,2-a]pyridin-2-yl)-[[4-(trifluoromethoxy)phenyl]methyl]sulfamoyl]benzoate (CID 159822768) is sodium;tert-butyl N-(3-methylimidazo[1,2-a]pyridin-2-yl)carbamate;ethyl 3-bromo-2-oxobutanoate;ethyl 3-methylimidazo[1,2-a]pyridine-2-carboxylate;ethyl 2-oxobutanoate;3-methylimidazo[1,2-a]pyridine-2-carboxylic acid;4-[(3-methylimidazo[1,2-a]pyridin-2-yl)-[[4-(trifluoromethoxy)phenyl]methyl]sulfamoyl]benzoate;methyl 4-[(3-methylimidazo[1,2-a]pyridin-2-yl)-[(2-methylpropan-2-yl)oxycarbonyl]sulfamoyl]benzoate;methyl 4-[(3-methylimidazo[1,2-a]pyridin-2-yl)sulfamoyl]benzoate;methyl 4-[(3-methylimidazo[1,2-a]pyridin-2-yl)-[[4-(trifluoromethoxy)phenyl]methyl]sulfamoyl]benzoate.

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

The canonical SMILES for sodium;tert-butyl N-(3-methylimidazo[1,2-a]pyridin-2-yl)carbamate;ethyl 3-bromo-2-oxobutanoate;ethyl 3-methylimidazo[1,2-a]pyridine-2-carboxylate;ethyl 2-oxobutanoate;3-methylimidazo[1,2-a]pyridine-2-carboxylic acid;4-[(3-methylimidazo[1,2-a]pyridin-2-yl)-[[4-(trifluoromethoxy)phenyl]methyl]sulfamoyl]benzoate;methyl 4-[(3-methylimidazo[1,2-a]pyridin-2-yl)-[(2-methylpropan-2-yl)oxycarbonyl]sulfamoyl]benzoate;methyl 4-[(3-methylimidazo[1,2-a]pyridin-2-yl)sulfamoyl]benzoate;methyl 4-[(3-methylimidazo[1,2-a]pyridin-2-yl)-[[4-(trifluoromethoxy)phenyl]methyl]sulfamoyl]benzoate is CCOC(=O)C(=O)C(C)Br.CCOC(=O)C(=O)CC.CCOC(=O)c1nc2ccccn2c1C.COC(=O)c1ccc(S(=O)(=O)N(C(=O)OC(C)(C)C)c2nc3ccccn3c2C)cc1.COC(=O)c1ccc(S(=O)(=O)N(Cc2ccc(OC(F)(F)F)cc2)c2nc3ccccn3c2C)cc1.COC(=O)c1ccc(S(=O)(=O)Nc2nc3ccccn3c2C)cc1.Cc1c(C(=O)O)nc2ccccn12.Cc1c(N(Cc2ccc(OC(F)(F)F)cc2)S(=O)(=O)c2ccc(C(=O)[O-])cc2)nc2ccccn12.Cc1c(NC(=O)OC(C)(C)C)nc2ccccn12.[Na+].

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

The InChIKey is NMLLLDIEOWBHRN-UHFFFAOYSA-M. The full InChI is InChI=1S/C24H20F3N3O5S.C23H18F3N3O5S.C21H23N3O6S.C16H15N3O4S.C13H17N3O2.C11H12N2O2.C9H8N2O2.C6H9BrO3.C6H10O3.Na/c1-16-22(28-21-5-3-4-14-29(16)21)30(15-17-6-10-19(11-7-17)35-24(25,26)27)36(32,33)20-12-8-18(9-13-20)23(31)34-2;1-15-21(27-20-4-2-3-13-28(15)20)29(14-16-5-9-18(10-6-16)34-23(24,25)26)35(32,33)19-11-7-17(8-12-19)22(30)31;1-14-18(22-17-8-6-7-13-23(14)17)24(20(26)30-21(2,3)4)31(27,28)16-11-9-15(10-12-16)19(25)29-5;1-11-15(17-14-5-3-4-10-19(11)14)18-24(21,22)13-8-6-12(7-9-13)16(20)23-2;1-9-11(15-12(17)18-13(2,3)4)14-10-7-5-6-8-16(9)10;1-3-15-11(14)10-8(2)13-7-5-4-6-9(13)12-10;1-6-8(9(12)13)10-7-4-2-3-5-11(6)7;1-3-10-6(9)5(8)4(2)7;1-3-5(7)6(8)9-4-2;/h3-14H,15H2,1-2H3;2-13H,14H2,1H3,(H,30,31);6-13H,1-5H3;3-10,18H,1-2H3;5-8H,1-4H3,(H,15,17);4-7H,3H2,1-2H3;2-5H,1H3,(H,12,13);4H,3H2,1-2H3;3-4H2,1-2H3;/q;;;;;;;;;+1/p-1.

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

sodium;tert-butyl N-(3-methylimidazo[1,2-a]pyridin-2-yl)carbamate;ethyl 3-bromo-2-oxobutanoate;ethyl 3-methylimidazo[1,2-a]pyridine-2-carboxylate;ethyl 2-oxobutanoate;3-methylimidazo[1,2-a]pyridine-2-carboxylic acid;4-[(3-methylimidazo[1,2-a]pyridin-2-yl)-[[4-(trifluoromethoxy)phenyl]methyl]sulfamoyl]benzoate;methyl 4-[(3-methylimidazo[1,2-a]pyridin-2-yl)-[(2-methylpropan-2-yl)oxycarbonyl]sulfamoyl]benzoate;methyl 4-[(3-methylimidazo[1,2-a]pyridin-2-yl)sulfamoyl]benzoate;methyl 4-[(3-methylimidazo[1,2-a]pyridin-2-yl)-[[4-(trifluoromethoxy)phenyl]methyl]sulfamoyl]benzoate has a molecular weight of 2804.72 g/mol, XLogP of 18.40, 32 rotatable bonds, 3 hydrogen bond donors, and 45 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;tert-butyl N-(3-methylimidazo[1,2-a]pyridin-2-yl)carbamate;ethyl 3-bromo-2-oxobutanoate;ethyl 3-methylimidazo[1,2-a]pyridine-2-carboxylate;ethyl 2-oxobutanoate;3-methylimidazo[1,2-a]pyridine-2-carboxylic acid;4-[(3-methylimidazo[1,2-a]pyridin-2-yl)-[[4-(trifluoromethoxy)phenyl]methyl]sulfamoyl]benzoate;methyl 4-[(3-methylimidazo[1,2-a]pyridin-2-yl)-[(2-methylpropan-2-yl)oxycarbonyl]sulfamoyl]benzoate;methyl 4-[(3-methylimidazo[1,2-a]pyridin-2-yl)sulfamoyl]benzoate;methyl 4-[(3-methylimidazo[1,2-a]pyridin-2-yl)-[[4-(trifluoromethoxy)phenyl]methyl]sulfamoyl]benzoate is sourced from PubChem (CID 159822768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).