sodium;tert-butyl N-(3,8-dimethylimidazo[1,2-a]pyridin-2-yl)carbamate;3,8-dimethylimidazo[1,2-a]pyridine-2-carboxylic acid;4-[(3,8-dimethylimidazo[1,2-a]pyridin-2-yl)-[[4-(trifluoromethoxy)phenyl]methyl]sulfamoyl]benzoate;methyl 4-[(3,8-dimethylimidazo[1,2-a]pyridin-2-yl)-[(2-methylpropan-2-yl)oxycarbonyl]sulfamoyl]benzoate;methyl 4-[(3,8-dimethylimidazo[1,2-a]pyridin-2-yl)sulfamoyl]benzoate;methyl 4-[(3,8-dimethylimidazo[1,2-a]pyridin-2-yl)-[[4-(trifluoromethoxy)phenyl]methyl]sulfamoyl]benzoate

C112H112F6N17NaO24S4 — CID 158315296

About sodium;tert-butyl N-(3,8-dimethylimidazo[1,2-a]pyridin-2-yl)carbamate;3,8-dimethylimidazo[1,2-a]pyridine-2-carboxylic acid;4-[(3,8-dimethylimidazo[1,2-a]pyridin-2-yl)-[[4-(trifluoromethoxy)phenyl]methyl]sulfamoyl]benzoate;methyl 4-[(3,8-dimethylimidazo[1,2-a]pyridin-2-yl)-[(2-methylpropan-2-yl)oxycarbonyl]sulfamoyl]benzoate;methyl 4-[(3,8-dimethylimidazo[1,2-a]pyridin-2-yl)sulfamoyl]benzoate;methyl 4-[(3,8-dimethylimidazo[1,2-a]pyridin-2-yl)-[[4-(trifluoromethoxy)phenyl]methyl]sulfamoyl]benzoate

sodium;tert-butyl N-(3,8-dimethylimidazo[1,2-a]pyridin-2-yl)carbamate;3,8-dimethylimidazo[1,2-a]pyridine-2-carboxylic acid;4-[(3,8-dimethylimidazo[1,2-a]pyridin-2-yl)-[[4-(trifluoromethoxy)phenyl]methyl]sulfamoyl]benzoate;methyl 4-[(3,8-dimethylimidazo[1,2-a]pyridin-2-yl)-[(2-methylpropan-2-yl)oxycarbonyl]sulfamoyl]benzoate;methyl 4-[(3,8-dimethylimidazo[1,2-a]pyridin-2-yl)sulfamoyl]benzoate;methyl 4-[(3,8-dimethylimidazo[1,2-a]pyridin-2-yl)-[[4-(trifluoromethoxy)phenyl]methyl]sulfamoyl]benzoate (PubChem CID 158315296) has the molecular formula C112H112F6N17NaO24S4 and a molecular weight of 2345.47 g/mol. Its IUPAC name is sodium;tert-butyl N-(3,8-dimethylimidazo[1,2-a]pyridin-2-yl)carbamate;3,8-dimethylimidazo[1,2-a]pyridine-2-carboxylic acid;4-[(3,8-dimethylimidazo[1,2-a]pyridin-2-yl)-[[4-(trifluoromethoxy)phenyl]methyl]sulfamoyl]benzoate;methyl 4-[(3,8-dimethylimidazo[1,2-a]pyridin-2-yl)-[(2-methylpropan-2-yl)oxycarbonyl]sulfamoyl]benzoate;methyl 4-[(3,8-dimethylimidazo[1,2-a]pyridin-2-yl)sulfamoyl]benzoate;methyl 4-[(3,8-dimethylimidazo[1,2-a]pyridin-2-yl)-[[4-(trifluoromethoxy)phenyl]methyl]sulfamoyl]benzoate.

Molecular Properties

• Compound Name: sodium;tert-butyl N-(3,8-dimethylimidazo[1,2-a]pyridin-2-yl)carbamate;3,8-dimethylimidazo[1,2-a]pyridine-2-carboxylic acid;4-[(3,8-dimethylimidazo[1,2-a]pyridin-2-yl)-[[4-(trifluoromethoxy)phenyl]methyl]sulfamoyl]benzoate;methyl 4-[(3,8-dimethylimidazo[1,2-a]pyridin-2-yl)-[(2-methylpropan-2-yl)oxycarbonyl]sulfamoyl]benzoate;methyl 4-[(3,8-dimethylimidazo[1,2-a]pyridin-2-yl)sulfamoyl]benzoate;methyl 4-[(3,8-dimethylimidazo[1,2-a]pyridin-2-yl)-[[4-(trifluoromethoxy)phenyl]methyl]sulfamoyl]benzoate
• PubChem CID: 158315296
• Molecular Formula: C112H112F6N17NaO24S4
• Molecular Weight: 2345.47 g/mol
• Exact Mass: 2343.68
• IUPAC Name: sodium;tert-butyl N-(3,8-dimethylimidazo[1,2-a]pyridin-2-yl)carbamate;3,8-dimethylimidazo[1,2-a]pyridine-2-carboxylic acid;4-[(3,8-dimethylimidazo[1,2-a]pyridin-2-yl)-[[4-(trifluoromethoxy)phenyl]methyl]sulfamoyl]benzoate;methyl 4-[(3,8-dimethylimidazo[1,2-a]pyridin-2-yl)-[(2-methylpropan-2-yl)oxycarbonyl]sulfamoyl]benzoate;methyl 4-[(3,8-dimethylimidazo[1,2-a]pyridin-2-yl)sulfamoyl]benzoate;methyl 4-[(3,8-dimethylimidazo[1,2-a]pyridin-2-yl)-[[4-(trifluoromethoxy)phenyl]methyl]sulfamoyl]benzoate
• SMILES: COC(=O)c1ccc(S(=O)(=O)N(C(=O)OC(C)(C)C)c2nc3c(C)cccn3c2C)cc1.COC(=O)c1ccc(S(=O)(=O)N(Cc2ccc(OC(F)(F)F)cc2)c2nc3c(C)cccn3c2C)cc1.COC(=O)c1ccc(S(=O)(=O)Nc2nc3c(C)cccn3c2C)cc1.Cc1cccn2c(C)c(C(=O)O)nc12.Cc1cccn2c(C)c(N(Cc3ccc(OC(F)(F)F)cc3)S(=O)(=O)c3ccc(C(=O)[O-])cc3)nc12.Cc1cccn2c(C)c(NC(=O)OC(C)(C)C)nc12.[Na+]
• InChI: InChI=1S/C25H22F3N3O5S.C24H20F3N3O5S.C22H25N3O6S.C17H17N3O4S.C14H19N3O2.C10H10N2O2.Na/c1-16-5-4-14-30-17(2)23(29-22(16)30)31(15-18-6-10-20(11-7-18)36-25(26,27)28)37(33,34)21-12-8-19(9-13-21)24(32)35-3;1-15-4-3-13-29-16(2)22(28-21(15)29)30(14-17-5-9-19(10-6-17)35-24(25,26)27)36(33,34)20-11-7-18(8-12-20)23(31)32;1-14-8-7-13-24-15(2)19(23-18(14)24)25(21(27)31-22(3,4)5)32(28,29)17-11-9-16(10-12-17)20(26)30-6;1-11-5-4-10-20-12(2)15(18-16(11)20)19-25(22,23)14-8-6-13(7-9-14)17(21)24-3;1-9-7-6-8-17-10(2)11(15-12(9)17)16-13(18)19-14(3,4)5;1-6-4-3-5-12-7(2)8(10(13)14)11-9(6)12;/h4-14H,15H2,1-3H3;3-13H,14H2,1-2H3,(H,31,32);7-13H,1-6H3;4-10,19H,1-3H3;6-8H,1-5H3,(H,16,18);3-5H,1-2H3,(H,13,14);/q;;;;;;+1/p-1
• InChIKey: GOEOHKZMCZVTHK-UHFFFAOYSA-M
• XLogP: 17.00
• TPSA: 501.53 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 35
• Rotatable Bonds: 24
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2345.47
LogP ≤ 5	17.00
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of sodium;tert-butyl N-(3,8-dimethylimidazo[1,2-a]pyridin-2-yl)carbamate;3,8-dimethylimidazo[1,2-a]pyridine-2-carboxylic acid;4-[(3,8-dimethylimidazo[1,2-a]pyridin-2-yl)-[[4-(trifluoromethoxy)phenyl]methyl]sulfamoyl]benzoate;methyl 4-[(3,8-dimethylimidazo[1,2-a]pyridin-2-yl)-[(2-methylpropan-2-yl)oxycarbonyl]sulfamoyl]benzoate;methyl 4-[(3,8-dimethylimidazo[1,2-a]pyridin-2-yl)sulfamoyl]benzoate;methyl 4-[(3,8-dimethylimidazo[1,2-a]pyridin-2-yl)-[[4-(trifluoromethoxy)phenyl]methyl]sulfamoyl]benzoate?

The IUPAC name of sodium;tert-butyl N-(3,8-dimethylimidazo[1,2-a]pyridin-2-yl)carbamate;3,8-dimethylimidazo[1,2-a]pyridine-2-carboxylic acid;4-[(3,8-dimethylimidazo[1,2-a]pyridin-2-yl)-[[4-(trifluoromethoxy)phenyl]methyl]sulfamoyl]benzoate;methyl 4-[(3,8-dimethylimidazo[1,2-a]pyridin-2-yl)-[(2-methylpropan-2-yl)oxycarbonyl]sulfamoyl]benzoate;methyl 4-[(3,8-dimethylimidazo[1,2-a]pyridin-2-yl)sulfamoyl]benzoate;methyl 4-[(3,8-dimethylimidazo[1,2-a]pyridin-2-yl)-[[4-(trifluoromethoxy)phenyl]methyl]sulfamoyl]benzoate (CID 158315296) is sodium;tert-butyl N-(3,8-dimethylimidazo[1,2-a]pyridin-2-yl)carbamate;3,8-dimethylimidazo[1,2-a]pyridine-2-carboxylic acid;4-[(3,8-dimethylimidazo[1,2-a]pyridin-2-yl)-[[4-(trifluoromethoxy)phenyl]methyl]sulfamoyl]benzoate;methyl 4-[(3,8-dimethylimidazo[1,2-a]pyridin-2-yl)-[(2-methylpropan-2-yl)oxycarbonyl]sulfamoyl]benzoate;methyl 4-[(3,8-dimethylimidazo[1,2-a]pyridin-2-yl)sulfamoyl]benzoate;methyl 4-[(3,8-dimethylimidazo[1,2-a]pyridin-2-yl)-[[4-(trifluoromethoxy)phenyl]methyl]sulfamoyl]benzoate.

What is the SMILES notation for sodium;tert-butyl N-(3,8-dimethylimidazo[1,2-a]pyridin-2-yl)carbamate;3,8-dimethylimidazo[1,2-a]pyridine-2-carboxylic acid;4-[(3,8-dimethylimidazo[1,2-a]pyridin-2-yl)-[[4-(trifluoromethoxy)phenyl]methyl]sulfamoyl]benzoate;methyl 4-[(3,8-dimethylimidazo[1,2-a]pyridin-2-yl)-[(2-methylpropan-2-yl)oxycarbonyl]sulfamoyl]benzoate;methyl 4-[(3,8-dimethylimidazo[1,2-a]pyridin-2-yl)sulfamoyl]benzoate;methyl 4-[(3,8-dimethylimidazo[1,2-a]pyridin-2-yl)-[[4-(trifluoromethoxy)phenyl]methyl]sulfamoyl]benzoate?

The canonical SMILES for sodium;tert-butyl N-(3,8-dimethylimidazo[1,2-a]pyridin-2-yl)carbamate;3,8-dimethylimidazo[1,2-a]pyridine-2-carboxylic acid;4-[(3,8-dimethylimidazo[1,2-a]pyridin-2-yl)-[[4-(trifluoromethoxy)phenyl]methyl]sulfamoyl]benzoate;methyl 4-[(3,8-dimethylimidazo[1,2-a]pyridin-2-yl)-[(2-methylpropan-2-yl)oxycarbonyl]sulfamoyl]benzoate;methyl 4-[(3,8-dimethylimidazo[1,2-a]pyridin-2-yl)sulfamoyl]benzoate;methyl 4-[(3,8-dimethylimidazo[1,2-a]pyridin-2-yl)-[[4-(trifluoromethoxy)phenyl]methyl]sulfamoyl]benzoate is COC(=O)c1ccc(S(=O)(=O)N(C(=O)OC(C)(C)C)c2nc3c(C)cccn3c2C)cc1.COC(=O)c1ccc(S(=O)(=O)N(Cc2ccc(OC(F)(F)F)cc2)c2nc3c(C)cccn3c2C)cc1.COC(=O)c1ccc(S(=O)(=O)Nc2nc3c(C)cccn3c2C)cc1.Cc1cccn2c(C)c(C(=O)O)nc12.Cc1cccn2c(C)c(N(Cc3ccc(OC(F)(F)F)cc3)S(=O)(=O)c3ccc(C(=O)[O-])cc3)nc12.Cc1cccn2c(C)c(NC(=O)OC(C)(C)C)nc12.[Na+].

What is the InChIKey of sodium;tert-butyl N-(3,8-dimethylimidazo[1,2-a]pyridin-2-yl)carbamate;3,8-dimethylimidazo[1,2-a]pyridine-2-carboxylic acid;4-[(3,8-dimethylimidazo[1,2-a]pyridin-2-yl)-[[4-(trifluoromethoxy)phenyl]methyl]sulfamoyl]benzoate;methyl 4-[(3,8-dimethylimidazo[1,2-a]pyridin-2-yl)-[(2-methylpropan-2-yl)oxycarbonyl]sulfamoyl]benzoate;methyl 4-[(3,8-dimethylimidazo[1,2-a]pyridin-2-yl)sulfamoyl]benzoate;methyl 4-[(3,8-dimethylimidazo[1,2-a]pyridin-2-yl)-[[4-(trifluoromethoxy)phenyl]methyl]sulfamoyl]benzoate?

The InChIKey is GOEOHKZMCZVTHK-UHFFFAOYSA-M. The full InChI is InChI=1S/C25H22F3N3O5S.C24H20F3N3O5S.C22H25N3O6S.C17H17N3O4S.C14H19N3O2.C10H10N2O2.Na/c1-16-5-4-14-30-17(2)23(29-22(16)30)31(15-18-6-10-20(11-7-18)36-25(26,27)28)37(33,34)21-12-8-19(9-13-21)24(32)35-3;1-15-4-3-13-29-16(2)22(28-21(15)29)30(14-17-5-9-19(10-6-17)35-24(25,26)27)36(33,34)20-11-7-18(8-12-20)23(31)32;1-14-8-7-13-24-15(2)19(23-18(14)24)25(21(27)31-22(3,4)5)32(28,29)17-11-9-16(10-12-17)20(26)30-6;1-11-5-4-10-20-12(2)15(18-16(11)20)19-25(22,23)14-8-6-13(7-9-14)17(21)24-3;1-9-7-6-8-17-10(2)11(15-12(9)17)16-13(18)19-14(3,4)5;1-6-4-3-5-12-7(2)8(10(13)14)11-9(6)12;/h4-14H,15H2,1-3H3;3-13H,14H2,1-2H3,(H,31,32);7-13H,1-6H3;4-10,19H,1-3H3;6-8H,1-5H3,(H,16,18);3-5H,1-2H3,(H,13,14);/q;;;;;;+1/p-1.

What are the key properties of sodium;tert-butyl N-(3,8-dimethylimidazo[1,2-a]pyridin-2-yl)carbamate;3,8-dimethylimidazo[1,2-a]pyridine-2-carboxylic acid;4-[(3,8-dimethylimidazo[1,2-a]pyridin-2-yl)-[[4-(trifluoromethoxy)phenyl]methyl]sulfamoyl]benzoate;methyl 4-[(3,8-dimethylimidazo[1,2-a]pyridin-2-yl)-[(2-methylpropan-2-yl)oxycarbonyl]sulfamoyl]benzoate;methyl 4-[(3,8-dimethylimidazo[1,2-a]pyridin-2-yl)sulfamoyl]benzoate;methyl 4-[(3,8-dimethylimidazo[1,2-a]pyridin-2-yl)-[[4-(trifluoromethoxy)phenyl]methyl]sulfamoyl]benzoate?

sodium;tert-butyl N-(3,8-dimethylimidazo[1,2-a]pyridin-2-yl)carbamate;3,8-dimethylimidazo[1,2-a]pyridine-2-carboxylic acid;4-[(3,8-dimethylimidazo[1,2-a]pyridin-2-yl)-[[4-(trifluoromethoxy)phenyl]methyl]sulfamoyl]benzoate;methyl 4-[(3,8-dimethylimidazo[1,2-a]pyridin-2-yl)-[(2-methylpropan-2-yl)oxycarbonyl]sulfamoyl]benzoate;methyl 4-[(3,8-dimethylimidazo[1,2-a]pyridin-2-yl)sulfamoyl]benzoate;methyl 4-[(3,8-dimethylimidazo[1,2-a]pyridin-2-yl)-[[4-(trifluoromethoxy)phenyl]methyl]sulfamoyl]benzoate has a molecular weight of 2345.47 g/mol, XLogP of 17.00, 24 rotatable bonds, 3 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;tert-butyl N-(3,8-dimethylimidazo[1,2-a]pyridin-2-yl)carbamate;3,8-dimethylimidazo[1,2-a]pyridine-2-carboxylic acid;4-[(3,8-dimethylimidazo[1,2-a]pyridin-2-yl)-[[4-(trifluoromethoxy)phenyl]methyl]sulfamoyl]benzoate;methyl 4-[(3,8-dimethylimidazo[1,2-a]pyridin-2-yl)-[(2-methylpropan-2-yl)oxycarbonyl]sulfamoyl]benzoate;methyl 4-[(3,8-dimethylimidazo[1,2-a]pyridin-2-yl)sulfamoyl]benzoate;methyl 4-[(3,8-dimethylimidazo[1,2-a]pyridin-2-yl)-[[4-(trifluoromethoxy)phenyl]methyl]sulfamoyl]benzoate is sourced from PubChem (CID 158315296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).