tert-butyl N-(benzenesulfonyl)-N-(3,6-dimethylimidazo[1,2-a]pyridin-2-yl)carbamate;tert-butyl N-(3,6-dimethylimidazo[1,2-a]pyridin-2-yl)carbamate;3,6-dimethylimidazo[1,2-a]pyridine-2-carboxylic acid;N-(3,6-dimethylimidazo[1,2-a]pyridin-2-yl)benzenesulfonamide;N-(3,6-dimethylimidazo[1,2-a]pyridin-2-yl)-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide;ethane;methyl 3-bromo-2-oxobutanoate;methyl 3,6-dimethylimidazo[1,2-a]pyridine-2-carboxylate;4-methylpyridin-2-amine;toluene

C113H127BrF4N18O17S3 — CID 162218641

About tert-butyl N-(benzenesulfonyl)-N-(3,6-dimethylimidazo[1,2-a]pyridin-2-yl)carbamate;tert-butyl N-(3,6-dimethylimidazo[1,2-a]pyridin-2-yl)carbamate;3,6-dimethylimidazo[1,2-a]pyridine-2-carboxylic acid;N-(3,6-dimethylimidazo[1,2-a]pyridin-2-yl)benzenesulfonamide;N-(3,6-dimethylimidazo[1,2-a]pyridin-2-yl)-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide;ethane;methyl 3-bromo-2-oxobutanoate;methyl 3,6-dimethylimidazo[1,2-a]pyridine-2-carboxylate;4-methylpyridin-2-amine;toluene

tert-butyl N-(benzenesulfonyl)-N-(3,6-dimethylimidazo[1,2-a]pyridin-2-yl)carbamate;tert-butyl N-(3,6-dimethylimidazo[1,2-a]pyridin-2-yl)carbamate;3,6-dimethylimidazo[1,2-a]pyridine-2-carboxylic acid;N-(3,6-dimethylimidazo[1,2-a]pyridin-2-yl)benzenesulfonamide;N-(3,6-dimethylimidazo[1,2-a]pyridin-2-yl)-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide;ethane;methyl 3-bromo-2-oxobutanoate;methyl 3,6-dimethylimidazo[1,2-a]pyridine-2-carboxylate;4-methylpyridin-2-amine;toluene (PubChem CID 162218641) has the molecular formula C113H127BrF4N18O17S3 and a molecular weight of 2261.46 g/mol. Its IUPAC name is tert-butyl N-(benzenesulfonyl)-N-(3,6-dimethylimidazo[1,2-a]pyridin-2-yl)carbamate;tert-butyl N-(3,6-dimethylimidazo[1,2-a]pyridin-2-yl)carbamate;3,6-dimethylimidazo[1,2-a]pyridine-2-carboxylic acid;N-(3,6-dimethylimidazo[1,2-a]pyridin-2-yl)benzenesulfonamide;N-(3,6-dimethylimidazo[1,2-a]pyridin-2-yl)-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide;ethane;methyl 3-bromo-2-oxobutanoate;methyl 3,6-dimethylimidazo[1,2-a]pyridine-2-carboxylate;4-methylpyridin-2-amine;toluene.

Molecular Properties

• Compound Name: tert-butyl N-(benzenesulfonyl)-N-(3,6-dimethylimidazo[1,2-a]pyridin-2-yl)carbamate;tert-butyl N-(3,6-dimethylimidazo[1,2-a]pyridin-2-yl)carbamate;3,6-dimethylimidazo[1,2-a]pyridine-2-carboxylic acid;N-(3,6-dimethylimidazo[1,2-a]pyridin-2-yl)benzenesulfonamide;N-(3,6-dimethylimidazo[1,2-a]pyridin-2-yl)-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide;ethane;methyl 3-bromo-2-oxobutanoate;methyl 3,6-dimethylimidazo[1,2-a]pyridine-2-carboxylate;4-methylpyridin-2-amine;toluene
• PubChem CID: 162218641
• Molecular Formula: C113H127BrF4N18O17S3
• Molecular Weight: 2261.46 g/mol
• Exact Mass: 2258.79
• IUPAC Name: tert-butyl N-(benzenesulfonyl)-N-(3,6-dimethylimidazo[1,2-a]pyridin-2-yl)carbamate;tert-butyl N-(3,6-dimethylimidazo[1,2-a]pyridin-2-yl)carbamate;3,6-dimethylimidazo[1,2-a]pyridine-2-carboxylic acid;N-(3,6-dimethylimidazo[1,2-a]pyridin-2-yl)benzenesulfonamide;N-(3,6-dimethylimidazo[1,2-a]pyridin-2-yl)-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide;ethane;methyl 3-bromo-2-oxobutanoate;methyl 3,6-dimethylimidazo[1,2-a]pyridine-2-carboxylate;4-methylpyridin-2-amine;toluene
• SMILES: CC.COC(=O)C(=O)C(C)Br.COC(=O)c1nc2ccc(C)cn2c1C.Cc1ccc2nc(C(=O)O)c(C)n2c1.Cc1ccc2nc(N(C(=O)OC(C)(C)C)S(=O)(=O)c3ccccc3)c(C)n2c1.Cc1ccc2nc(N(Cc3ccc(F)c(C(F)(F)F)c3)S(=O)(=O)c3ccccc3)c(C)n2c1.Cc1ccc2nc(NC(=O)OC(C)(C)C)c(C)n2c1.Cc1ccc2nc(NS(=O)(=O)c3ccccc3)c(C)n2c1.Cc1ccccc1.Cc1ccnc(N)c1
• InChI: InChI=1S/C23H19F4N3O2S.C20H23N3O4S.C15H15N3O2S.C14H19N3O2.C11H12N2O2.C10H10N2O2.C7H8.C6H8N2.C5H7BrO3.C2H6/c1-15-8-11-21-28-22(16(2)29(21)13-15)30(33(31,32)18-6-4-3-5-7-18)14-17-9-10-20(24)19(12-17)23(25,26)27;1-14-11-12-17-21-18(15(2)22(17)13-14)23(19(24)27-20(3,4)5)28(25,26)16-9-7-6-8-10-16;1-11-8-9-14-16-15(12(2)18(14)10-11)17-21(19,20)13-6-4-3-5-7-13;1-9-6-7-11-15-12(10(2)17(11)8-9)16-13(18)19-14(3,4)5;1-7-4-5-9-12-10(11(14)15-3)8(2)13(9)6-7;1-6-3-4-8-11-9(10(13)14)7(2)12(8)5-6;1-7-5-3-2-4-6-7;1-5-2-3-8-6(7)4-5;1-3(6)4(7)5(8)9-2;1-2/h3-13H,14H2,1-2H3;6-13H,1-5H3;3-10,17H,1-2H3;6-8H,1-5H3,(H,16,18);4-6H,1-3H3;3-5H,1-2H3,(H,13,14);2-6H,1H3;2-4H,1H3,(H2,7,8);3H,1-2H3;1-2H3
• InChIKey: ZTUYBBZOWVZPGY-UHFFFAOYSA-N
• XLogP: 23.53
• TPSA: 435.24 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 30
• Rotatable Bonds: 16
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2261.46
LogP ≤ 5	23.53
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	30

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-(benzenesulfonyl)-N-(3,6-dimethylimidazo[1,2-a]pyridin-2-yl)carbamate;tert-butyl N-(3,6-dimethylimidazo[1,2-a]pyridin-2-yl)carbamate;3,6-dimethylimidazo[1,2-a]pyridine-2-carboxylic acid;N-(3,6-dimethylimidazo[1,2-a]pyridin-2-yl)benzenesulfonamide;N-(3,6-dimethylimidazo[1,2-a]pyridin-2-yl)-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide;ethane;methyl 3-bromo-2-oxobutanoate;methyl 3,6-dimethylimidazo[1,2-a]pyridine-2-carboxylate;4-methylpyridin-2-amine;toluene?

The IUPAC name of tert-butyl N-(benzenesulfonyl)-N-(3,6-dimethylimidazo[1,2-a]pyridin-2-yl)carbamate;tert-butyl N-(3,6-dimethylimidazo[1,2-a]pyridin-2-yl)carbamate;3,6-dimethylimidazo[1,2-a]pyridine-2-carboxylic acid;N-(3,6-dimethylimidazo[1,2-a]pyridin-2-yl)benzenesulfonamide;N-(3,6-dimethylimidazo[1,2-a]pyridin-2-yl)-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide;ethane;methyl 3-bromo-2-oxobutanoate;methyl 3,6-dimethylimidazo[1,2-a]pyridine-2-carboxylate;4-methylpyridin-2-amine;toluene (CID 162218641) is tert-butyl N-(benzenesulfonyl)-N-(3,6-dimethylimidazo[1,2-a]pyridin-2-yl)carbamate;tert-butyl N-(3,6-dimethylimidazo[1,2-a]pyridin-2-yl)carbamate;3,6-dimethylimidazo[1,2-a]pyridine-2-carboxylic acid;N-(3,6-dimethylimidazo[1,2-a]pyridin-2-yl)benzenesulfonamide;N-(3,6-dimethylimidazo[1,2-a]pyridin-2-yl)-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide;ethane;methyl 3-bromo-2-oxobutanoate;methyl 3,6-dimethylimidazo[1,2-a]pyridine-2-carboxylate;4-methylpyridin-2-amine;toluene.

What is the SMILES notation for tert-butyl N-(benzenesulfonyl)-N-(3,6-dimethylimidazo[1,2-a]pyridin-2-yl)carbamate;tert-butyl N-(3,6-dimethylimidazo[1,2-a]pyridin-2-yl)carbamate;3,6-dimethylimidazo[1,2-a]pyridine-2-carboxylic acid;N-(3,6-dimethylimidazo[1,2-a]pyridin-2-yl)benzenesulfonamide;N-(3,6-dimethylimidazo[1,2-a]pyridin-2-yl)-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide;ethane;methyl 3-bromo-2-oxobutanoate;methyl 3,6-dimethylimidazo[1,2-a]pyridine-2-carboxylate;4-methylpyridin-2-amine;toluene?

The canonical SMILES for tert-butyl N-(benzenesulfonyl)-N-(3,6-dimethylimidazo[1,2-a]pyridin-2-yl)carbamate;tert-butyl N-(3,6-dimethylimidazo[1,2-a]pyridin-2-yl)carbamate;3,6-dimethylimidazo[1,2-a]pyridine-2-carboxylic acid;N-(3,6-dimethylimidazo[1,2-a]pyridin-2-yl)benzenesulfonamide;N-(3,6-dimethylimidazo[1,2-a]pyridin-2-yl)-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide;ethane;methyl 3-bromo-2-oxobutanoate;methyl 3,6-dimethylimidazo[1,2-a]pyridine-2-carboxylate;4-methylpyridin-2-amine;toluene is CC.COC(=O)C(=O)C(C)Br.COC(=O)c1nc2ccc(C)cn2c1C.Cc1ccc2nc(C(=O)O)c(C)n2c1.Cc1ccc2nc(N(C(=O)OC(C)(C)C)S(=O)(=O)c3ccccc3)c(C)n2c1.Cc1ccc2nc(N(Cc3ccc(F)c(C(F)(F)F)c3)S(=O)(=O)c3ccccc3)c(C)n2c1.Cc1ccc2nc(NC(=O)OC(C)(C)C)c(C)n2c1.Cc1ccc2nc(NS(=O)(=O)c3ccccc3)c(C)n2c1.Cc1ccccc1.Cc1ccnc(N)c1.

What is the InChIKey of tert-butyl N-(benzenesulfonyl)-N-(3,6-dimethylimidazo[1,2-a]pyridin-2-yl)carbamate;tert-butyl N-(3,6-dimethylimidazo[1,2-a]pyridin-2-yl)carbamate;3,6-dimethylimidazo[1,2-a]pyridine-2-carboxylic acid;N-(3,6-dimethylimidazo[1,2-a]pyridin-2-yl)benzenesulfonamide;N-(3,6-dimethylimidazo[1,2-a]pyridin-2-yl)-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide;ethane;methyl 3-bromo-2-oxobutanoate;methyl 3,6-dimethylimidazo[1,2-a]pyridine-2-carboxylate;4-methylpyridin-2-amine;toluene?

The InChIKey is ZTUYBBZOWVZPGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F4N3O2S.C20H23N3O4S.C15H15N3O2S.C14H19N3O2.C11H12N2O2.C10H10N2O2.C7H8.C6H8N2.C5H7BrO3.C2H6/c1-15-8-11-21-28-22(16(2)29(21)13-15)30(33(31,32)18-6-4-3-5-7-18)14-17-9-10-20(24)19(12-17)23(25,26)27;1-14-11-12-17-21-18(15(2)22(17)13-14)23(19(24)27-20(3,4)5)28(25,26)16-9-7-6-8-10-16;1-11-8-9-14-16-15(12(2)18(14)10-11)17-21(19,20)13-6-4-3-5-7-13;1-9-6-7-11-15-12(10(2)17(11)8-9)16-13(18)19-14(3,4)5;1-7-4-5-9-12-10(11(14)15-3)8(2)13(9)6-7;1-6-3-4-8-11-9(10(13)14)7(2)12(8)5-6;1-7-5-3-2-4-6-7;1-5-2-3-8-6(7)4-5;1-3(6)4(7)5(8)9-2;1-2/h3-13H,14H2,1-2H3;6-13H,1-5H3;3-10,17H,1-2H3;6-8H,1-5H3,(H,16,18);4-6H,1-3H3;3-5H,1-2H3,(H,13,14);2-6H,1H3;2-4H,1H3,(H2,7,8);3H,1-2H3;1-2H3.

What are the key properties of tert-butyl N-(benzenesulfonyl)-N-(3,6-dimethylimidazo[1,2-a]pyridin-2-yl)carbamate;tert-butyl N-(3,6-dimethylimidazo[1,2-a]pyridin-2-yl)carbamate;3,6-dimethylimidazo[1,2-a]pyridine-2-carboxylic acid;N-(3,6-dimethylimidazo[1,2-a]pyridin-2-yl)benzenesulfonamide;N-(3,6-dimethylimidazo[1,2-a]pyridin-2-yl)-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide;ethane;methyl 3-bromo-2-oxobutanoate;methyl 3,6-dimethylimidazo[1,2-a]pyridine-2-carboxylate;4-methylpyridin-2-amine;toluene?

tert-butyl N-(benzenesulfonyl)-N-(3,6-dimethylimidazo[1,2-a]pyridin-2-yl)carbamate;tert-butyl N-(3,6-dimethylimidazo[1,2-a]pyridin-2-yl)carbamate;3,6-dimethylimidazo[1,2-a]pyridine-2-carboxylic acid;N-(3,6-dimethylimidazo[1,2-a]pyridin-2-yl)benzenesulfonamide;N-(3,6-dimethylimidazo[1,2-a]pyridin-2-yl)-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide;ethane;methyl 3-bromo-2-oxobutanoate;methyl 3,6-dimethylimidazo[1,2-a]pyridine-2-carboxylate;4-methylpyridin-2-amine;toluene has a molecular weight of 2261.46 g/mol, XLogP of 23.53, 16 rotatable bonds, 4 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-(benzenesulfonyl)-N-(3,6-dimethylimidazo[1,2-a]pyridin-2-yl)carbamate;tert-butyl N-(3,6-dimethylimidazo[1,2-a]pyridin-2-yl)carbamate;3,6-dimethylimidazo[1,2-a]pyridine-2-carboxylic acid;N-(3,6-dimethylimidazo[1,2-a]pyridin-2-yl)benzenesulfonamide;N-(3,6-dimethylimidazo[1,2-a]pyridin-2-yl)-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide;ethane;methyl 3-bromo-2-oxobutanoate;methyl 3,6-dimethylimidazo[1,2-a]pyridine-2-carboxylate;4-methylpyridin-2-amine;toluene is sourced from PubChem (CID 162218641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).