tert-butyl N-(benzenesulfonyl)-N-(3-cyclopropylimidazo[1,2-a]pyridin-2-yl)carbamate;tert-butyl N-(3-cyclopropylimidazo[1,2-a]pyridin-2-yl)carbamate;3-cyclopropylimidazo[1,2-a]pyridine-2-carboxylic acid;N-(3-cyclopropylimidazo[1,2-a]pyridin-2-yl)benzenesulfonamide;N-(3-cyclopropylimidazo[1,2-a]pyridin-2-yl)-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide;ethyl 3-bromoimidazo[1,2-a]pyridine-2-carboxylate;ethyl 3-cyclopropylimidazo[1,2-a]pyridine-2-carboxylate

C110H109BrF4N18O16S3 — CID 159264802

About tert-butyl N-(benzenesulfonyl)-N-(3-cyclopropylimidazo[1,2-a]pyridin-2-yl)carbamate;tert-butyl N-(3-cyclopropylimidazo[1,2-a]pyridin-2-yl)carbamate;3-cyclopropylimidazo[1,2-a]pyridine-2-carboxylic acid;N-(3-cyclopropylimidazo[1,2-a]pyridin-2-yl)benzenesulfonamide;N-(3-cyclopropylimidazo[1,2-a]pyridin-2-yl)-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide;ethyl 3-bromoimidazo[1,2-a]pyridine-2-carboxylate;ethyl 3-cyclopropylimidazo[1,2-a]pyridine-2-carboxylate

tert-butyl N-(benzenesulfonyl)-N-(3-cyclopropylimidazo[1,2-a]pyridin-2-yl)carbamate;tert-butyl N-(3-cyclopropylimidazo[1,2-a]pyridin-2-yl)carbamate;3-cyclopropylimidazo[1,2-a]pyridine-2-carboxylic acid;N-(3-cyclopropylimidazo[1,2-a]pyridin-2-yl)benzenesulfonamide;N-(3-cyclopropylimidazo[1,2-a]pyridin-2-yl)-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide;ethyl 3-bromoimidazo[1,2-a]pyridine-2-carboxylate;ethyl 3-cyclopropylimidazo[1,2-a]pyridine-2-carboxylate (PubChem CID 159264802) has the molecular formula C110H109BrF4N18O16S3 and a molecular weight of 2191.29 g/mol. Its IUPAC name is tert-butyl N-(benzenesulfonyl)-N-(3-cyclopropylimidazo[1,2-a]pyridin-2-yl)carbamate;tert-butyl N-(3-cyclopropylimidazo[1,2-a]pyridin-2-yl)carbamate;3-cyclopropylimidazo[1,2-a]pyridine-2-carboxylic acid;N-(3-cyclopropylimidazo[1,2-a]pyridin-2-yl)benzenesulfonamide;N-(3-cyclopropylimidazo[1,2-a]pyridin-2-yl)-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide;ethyl 3-bromoimidazo[1,2-a]pyridine-2-carboxylate;ethyl 3-cyclopropylimidazo[1,2-a]pyridine-2-carboxylate.

Molecular Properties

• Compound Name: tert-butyl N-(benzenesulfonyl)-N-(3-cyclopropylimidazo[1,2-a]pyridin-2-yl)carbamate;tert-butyl N-(3-cyclopropylimidazo[1,2-a]pyridin-2-yl)carbamate;3-cyclopropylimidazo[1,2-a]pyridine-2-carboxylic acid;N-(3-cyclopropylimidazo[1,2-a]pyridin-2-yl)benzenesulfonamide;N-(3-cyclopropylimidazo[1,2-a]pyridin-2-yl)-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide;ethyl 3-bromoimidazo[1,2-a]pyridine-2-carboxylate;ethyl 3-cyclopropylimidazo[1,2-a]pyridine-2-carboxylate
• PubChem CID: 159264802
• Molecular Formula: C110H109BrF4N18O16S3
• Molecular Weight: 2191.29 g/mol
• Exact Mass: 2188.66
• IUPAC Name: tert-butyl N-(benzenesulfonyl)-N-(3-cyclopropylimidazo[1,2-a]pyridin-2-yl)carbamate;tert-butyl N-(3-cyclopropylimidazo[1,2-a]pyridin-2-yl)carbamate;3-cyclopropylimidazo[1,2-a]pyridine-2-carboxylic acid;N-(3-cyclopropylimidazo[1,2-a]pyridin-2-yl)benzenesulfonamide;N-(3-cyclopropylimidazo[1,2-a]pyridin-2-yl)-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide;ethyl 3-bromoimidazo[1,2-a]pyridine-2-carboxylate;ethyl 3-cyclopropylimidazo[1,2-a]pyridine-2-carboxylate
• SMILES: CC(C)(C)OC(=O)N(c1nc2ccccn2c1C1CC1)S(=O)(=O)c1ccccc1.CC(C)(C)OC(=O)Nc1nc2ccccn2c1C1CC1.CCOC(=O)c1nc2ccccn2c1Br.CCOC(=O)c1nc2ccccn2c1C1CC1.O=C(O)c1nc2ccccn2c1C1CC1.O=S(=O)(Nc1nc2ccccn2c1C1CC1)c1ccccc1.O=S(=O)(c1ccccc1)N(Cc1ccc(F)c(C(F)(F)F)c1)c1nc2ccccn2c1C1CC1
• InChI: InChI=1S/C24H19F4N3O2S.C21H23N3O4S.C16H15N3O2S.C15H19N3O2.C13H14N2O2.C11H10N2O2.C10H9BrN2O2/c25-20-12-9-16(14-19(20)24(26,27)28)15-31(34(32,33)18-6-2-1-3-7-18)23-22(17-10-11-17)30-13-5-4-8-21(30)29-23;1-21(2,3)28-20(25)24(29(26,27)16-9-5-4-6-10-16)19-18(15-12-13-15)23-14-8-7-11-17(23)22-19;20-22(21,13-6-2-1-3-7-13)18-16-15(12-9-10-12)19-11-5-4-8-14(19)17-16;1-15(2,3)20-14(19)17-13-12(10-7-8-10)18-9-5-4-6-11(18)16-13;1-2-17-13(16)11-12(9-6-7-9)15-8-4-3-5-10(15)14-11;14-11(15)9-10(7-4-5-7)13-6-2-1-3-8(13)12-9;1-2-15-10(14)8-9(11)13-6-4-3-5-7(13)12-8/h1-9,12-14,17H,10-11,15H2;4-11,14-15H,12-13H2,1-3H3;1-8,11-12,18H,9-10H2;4-6,9-10H,7-8H2,1-3H3,(H,17,19);3-5,8-9H,2,6-7H2,1H3;1-3,6-7H,4-5H2,(H,14,15);3-6H,2H2,1H3
• InChIKey: KWYRUOAYJLBPCQ-UHFFFAOYSA-N
• XLogP: 23.25
• TPSA: 396.56 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 29
• Rotatable Bonds: 23
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2191.29
LogP ≤ 5	23.25
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(benzenesulfonyl)-N-(3-cyclopropylimidazo[1,2-a]pyridin-2-yl)carbamate;tert-butyl N-(3-cyclopropylimidazo[1,2-a]pyridin-2-yl)carbamate;3-cyclopropylimidazo[1,2-a]pyridine-2-carboxylic acid;N-(3-cyclopropylimidazo[1,2-a]pyridin-2-yl)benzenesulfonamide;N-(3-cyclopropylimidazo[1,2-a]pyridin-2-yl)-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide;ethyl 3-bromoimidazo[1,2-a]pyridine-2-carboxylate;ethyl 3-cyclopropylimidazo[1,2-a]pyridine-2-carboxylate?

The IUPAC name of tert-butyl N-(benzenesulfonyl)-N-(3-cyclopropylimidazo[1,2-a]pyridin-2-yl)carbamate;tert-butyl N-(3-cyclopropylimidazo[1,2-a]pyridin-2-yl)carbamate;3-cyclopropylimidazo[1,2-a]pyridine-2-carboxylic acid;N-(3-cyclopropylimidazo[1,2-a]pyridin-2-yl)benzenesulfonamide;N-(3-cyclopropylimidazo[1,2-a]pyridin-2-yl)-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide;ethyl 3-bromoimidazo[1,2-a]pyridine-2-carboxylate;ethyl 3-cyclopropylimidazo[1,2-a]pyridine-2-carboxylate (CID 159264802) is tert-butyl N-(benzenesulfonyl)-N-(3-cyclopropylimidazo[1,2-a]pyridin-2-yl)carbamate;tert-butyl N-(3-cyclopropylimidazo[1,2-a]pyridin-2-yl)carbamate;3-cyclopropylimidazo[1,2-a]pyridine-2-carboxylic acid;N-(3-cyclopropylimidazo[1,2-a]pyridin-2-yl)benzenesulfonamide;N-(3-cyclopropylimidazo[1,2-a]pyridin-2-yl)-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide;ethyl 3-bromoimidazo[1,2-a]pyridine-2-carboxylate;ethyl 3-cyclopropylimidazo[1,2-a]pyridine-2-carboxylate.

What is the SMILES notation for tert-butyl N-(benzenesulfonyl)-N-(3-cyclopropylimidazo[1,2-a]pyridin-2-yl)carbamate;tert-butyl N-(3-cyclopropylimidazo[1,2-a]pyridin-2-yl)carbamate;3-cyclopropylimidazo[1,2-a]pyridine-2-carboxylic acid;N-(3-cyclopropylimidazo[1,2-a]pyridin-2-yl)benzenesulfonamide;N-(3-cyclopropylimidazo[1,2-a]pyridin-2-yl)-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide;ethyl 3-bromoimidazo[1,2-a]pyridine-2-carboxylate;ethyl 3-cyclopropylimidazo[1,2-a]pyridine-2-carboxylate?

The canonical SMILES for tert-butyl N-(benzenesulfonyl)-N-(3-cyclopropylimidazo[1,2-a]pyridin-2-yl)carbamate;tert-butyl N-(3-cyclopropylimidazo[1,2-a]pyridin-2-yl)carbamate;3-cyclopropylimidazo[1,2-a]pyridine-2-carboxylic acid;N-(3-cyclopropylimidazo[1,2-a]pyridin-2-yl)benzenesulfonamide;N-(3-cyclopropylimidazo[1,2-a]pyridin-2-yl)-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide;ethyl 3-bromoimidazo[1,2-a]pyridine-2-carboxylate;ethyl 3-cyclopropylimidazo[1,2-a]pyridine-2-carboxylate is CC(C)(C)OC(=O)N(c1nc2ccccn2c1C1CC1)S(=O)(=O)c1ccccc1.CC(C)(C)OC(=O)Nc1nc2ccccn2c1C1CC1.CCOC(=O)c1nc2ccccn2c1Br.CCOC(=O)c1nc2ccccn2c1C1CC1.O=C(O)c1nc2ccccn2c1C1CC1.O=S(=O)(Nc1nc2ccccn2c1C1CC1)c1ccccc1.O=S(=O)(c1ccccc1)N(Cc1ccc(F)c(C(F)(F)F)c1)c1nc2ccccn2c1C1CC1.

What is the InChIKey of tert-butyl N-(benzenesulfonyl)-N-(3-cyclopropylimidazo[1,2-a]pyridin-2-yl)carbamate;tert-butyl N-(3-cyclopropylimidazo[1,2-a]pyridin-2-yl)carbamate;3-cyclopropylimidazo[1,2-a]pyridine-2-carboxylic acid;N-(3-cyclopropylimidazo[1,2-a]pyridin-2-yl)benzenesulfonamide;N-(3-cyclopropylimidazo[1,2-a]pyridin-2-yl)-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide;ethyl 3-bromoimidazo[1,2-a]pyridine-2-carboxylate;ethyl 3-cyclopropylimidazo[1,2-a]pyridine-2-carboxylate?

The InChIKey is KWYRUOAYJLBPCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F4N3O2S.C21H23N3O4S.C16H15N3O2S.C15H19N3O2.C13H14N2O2.C11H10N2O2.C10H9BrN2O2/c25-20-12-9-16(14-19(20)24(26,27)28)15-31(34(32,33)18-6-2-1-3-7-18)23-22(17-10-11-17)30-13-5-4-8-21(30)29-23;1-21(2,3)28-20(25)24(29(26,27)16-9-5-4-6-10-16)19-18(15-12-13-15)23-14-8-7-11-17(23)22-19;20-22(21,13-6-2-1-3-7-13)18-16-15(12-9-10-12)19-11-5-4-8-14(19)17-16;1-15(2,3)20-14(19)17-13-12(10-7-8-10)18-9-5-4-6-11(18)16-13;1-2-17-13(16)11-12(9-6-7-9)15-8-4-3-5-10(15)14-11;14-11(15)9-10(7-4-5-7)13-6-2-1-3-8(13)12-9;1-2-15-10(14)8-9(11)13-6-4-3-5-7(13)12-8/h1-9,12-14,17H,10-11,15H2;4-11,14-15H,12-13H2,1-3H3;1-8,11-12,18H,9-10H2;4-6,9-10H,7-8H2,1-3H3,(H,17,19);3-5,8-9H,2,6-7H2,1H3;1-3,6-7H,4-5H2,(H,14,15);3-6H,2H2,1H3.

What are the key properties of tert-butyl N-(benzenesulfonyl)-N-(3-cyclopropylimidazo[1,2-a]pyridin-2-yl)carbamate;tert-butyl N-(3-cyclopropylimidazo[1,2-a]pyridin-2-yl)carbamate;3-cyclopropylimidazo[1,2-a]pyridine-2-carboxylic acid;N-(3-cyclopropylimidazo[1,2-a]pyridin-2-yl)benzenesulfonamide;N-(3-cyclopropylimidazo[1,2-a]pyridin-2-yl)-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide;ethyl 3-bromoimidazo[1,2-a]pyridine-2-carboxylate;ethyl 3-cyclopropylimidazo[1,2-a]pyridine-2-carboxylate?

tert-butyl N-(benzenesulfonyl)-N-(3-cyclopropylimidazo[1,2-a]pyridin-2-yl)carbamate;tert-butyl N-(3-cyclopropylimidazo[1,2-a]pyridin-2-yl)carbamate;3-cyclopropylimidazo[1,2-a]pyridine-2-carboxylic acid;N-(3-cyclopropylimidazo[1,2-a]pyridin-2-yl)benzenesulfonamide;N-(3-cyclopropylimidazo[1,2-a]pyridin-2-yl)-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide;ethyl 3-bromoimidazo[1,2-a]pyridine-2-carboxylate;ethyl 3-cyclopropylimidazo[1,2-a]pyridine-2-carboxylate has a molecular weight of 2191.29 g/mol, XLogP of 23.25, 23 rotatable bonds, 3 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-(benzenesulfonyl)-N-(3-cyclopropylimidazo[1,2-a]pyridin-2-yl)carbamate;tert-butyl N-(3-cyclopropylimidazo[1,2-a]pyridin-2-yl)carbamate;3-cyclopropylimidazo[1,2-a]pyridine-2-carboxylic acid;N-(3-cyclopropylimidazo[1,2-a]pyridin-2-yl)benzenesulfonamide;N-(3-cyclopropylimidazo[1,2-a]pyridin-2-yl)-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide;ethyl 3-bromoimidazo[1,2-a]pyridine-2-carboxylate;ethyl 3-cyclopropylimidazo[1,2-a]pyridine-2-carboxylate is sourced from PubChem (CID 159264802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).