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;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

C106H114BrF3N16O27S3 — CID 160597381

About 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;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

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;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 160597381) has the molecular formula C106H114BrF3N16O27S3 and a molecular weight of 2277.26 g/mol. Its IUPAC name is 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;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: 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;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: 160597381
• Molecular Formula: C106H114BrF3N16O27S3
• Molecular Weight: 2277.26 g/mol
• Exact Mass: 2274.63
• IUPAC Name: 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;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(NC(=O)OC(C)(C)C)nc2ccccn12
• InChI: InChI=1S/C24H20F3N3O5S.C21H23N3O6S.C16H15N3O4S.C13H17N3O2.C11H12N2O2.C9H8N2O2.C6H9BrO3.C6H10O3/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;1-14-18(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;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
• InChIKey: RDUSRBNIWGWKOF-UHFFFAOYSA-N
• XLogP: 18.09
• TPSA: 527.83 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 38
• Rotatable Bonds: 25
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2277.26
LogP ≤ 5	18.09
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 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;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 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;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 160597381) is 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;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 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;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 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;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(NC(=O)OC(C)(C)C)nc2ccccn12.

What is the InChIKey of 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;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 RDUSRBNIWGWKOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N3O5S.C21H23N3O6S.C16H15N3O4S.C13H17N3O2.C11H12N2O2.C9H8N2O2.C6H9BrO3.C6H10O3/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;1-14-18(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;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.

What are the key properties of 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;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?

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;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 2277.26 g/mol, XLogP of 18.09, 25 rotatable bonds, 3 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 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;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 160597381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).