6-bromo-N-tert-butylimidazo[1,2-a]pyridin-3-amine;N-tert-butyl-6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridin-3-amine;N-tert-butyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridin-3-amine;bis(1,1-dichloroethane);6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridin-3-amine;methyl N-[6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridin-3-yl]carbamate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

C104H124B3BrCl4F9N21O8 — CID 160966427

About 6-bromo-N-tert-butylimidazo[1,2-a]pyridin-3-amine;N-tert-butyl-6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridin-3-amine;N-tert-butyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridin-3-amine;bis(1,1-dichloroethane);6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridin-3-amine;methyl N-[6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridin-3-yl]carbamate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

6-bromo-N-tert-butylimidazo[1,2-a]pyridin-3-amine;N-tert-butyl-6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridin-3-amine;N-tert-butyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridin-3-amine;bis(1,1-dichloroethane);6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridin-3-amine;methyl N-[6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridin-3-yl]carbamate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (PubChem CID 160966427) has the molecular formula C104H124B3BrCl4F9N21O8 and a molecular weight of 2221.41 g/mol. Its IUPAC name is 6-bromo-N-tert-butylimidazo[1,2-a]pyridin-3-amine;N-tert-butyl-6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridin-3-amine;N-tert-butyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridin-3-amine;bis(1,1-dichloroethane);6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridin-3-amine;methyl N-[6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridin-3-yl]carbamate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.

Molecular Properties

• Compound Name: 6-bromo-N-tert-butylimidazo[1,2-a]pyridin-3-amine;N-tert-butyl-6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridin-3-amine;N-tert-butyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridin-3-amine;bis(1,1-dichloroethane);6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridin-3-amine;methyl N-[6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridin-3-yl]carbamate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• PubChem CID: 160966427
• Molecular Formula: C104H124B3BrCl4F9N21O8
• Molecular Weight: 2221.41 g/mol
• Exact Mass: 2217.80
• IUPAC Name: 6-bromo-N-tert-butylimidazo[1,2-a]pyridin-3-amine;N-tert-butyl-6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridin-3-amine;N-tert-butyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridin-3-amine;bis(1,1-dichloroethane);6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridin-3-amine;methyl N-[6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridin-3-yl]carbamate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• SMILES: CC(C)(C)Nc1cnc2ccc(-c3c(-c4ccc(F)cc4)ncn3CC(F)F)cn12.CC(C)(C)Nc1cnc2ccc(B3OC(C)(C)C(C)(C)O3)cn12.CC(C)(C)Nc1cnc2ccc(Br)cn12.CC(Cl)Cl.CC(Cl)Cl.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.COC(=O)Nc1cnc2ccc(-c3c(-c4ccc(F)cc4)ncn3CC(F)F)cn12.Nc1cnc2ccc(-c3c(-c4ccc(F)cc4)ncn3CC(F)F)cn12
• InChI: InChI=1S/C22H22F3N5.C20H16F3N5O2.C18H14F3N5.C17H26BN3O2.C12H24B2O4.C11H14BrN3.2C2H4Cl2/c1-22(2,3)28-19-10-26-18-9-6-15(11-30(18)19)21-20(14-4-7-16(23)8-5-14)27-13-29(21)12-17(24)25;1-30-20(29)26-17-8-24-16-7-4-13(9-28(16)17)19-18(12-2-5-14(21)6-3-12)25-11-27(19)10-15(22)23;19-13-4-1-11(2-5-13)17-18(25(10-24-17)9-14(20)21)12-3-6-16-23-7-15(22)26(16)8-12;1-15(2,3)20-14-10-19-13-9-8-12(11-21(13)14)18-22-16(4,5)17(6,7)23-18;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-11(2,3)14-10-6-13-9-5-4-8(12)7-15(9)10;2*1-2(3)4/h4-11,13,17,28H,12H2,1-3H3;2-9,11,15H,10H2,1H3,(H,26,29);1-8,10,14H,9,22H2;8-11,20H,1-7H3;1-8H3;4-7,14H,1-3H3;2*2H,1H3
• InChIKey: SXRLNHTVTAQPSA-UHFFFAOYSA-N
• XLogP: 25.80
• TPSA: 295.78 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 28
• Rotatable Bonds: 18
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2221.41
LogP ≤ 5	25.80
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-tert-butylimidazo[1,2-a]pyridin-3-amine;N-tert-butyl-6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridin-3-amine;N-tert-butyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridin-3-amine;bis(1,1-dichloroethane);6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridin-3-amine;methyl N-[6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridin-3-yl]carbamate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The IUPAC name of 6-bromo-N-tert-butylimidazo[1,2-a]pyridin-3-amine;N-tert-butyl-6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridin-3-amine;N-tert-butyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridin-3-amine;bis(1,1-dichloroethane);6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridin-3-amine;methyl N-[6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridin-3-yl]carbamate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (CID 160966427) is 6-bromo-N-tert-butylimidazo[1,2-a]pyridin-3-amine;N-tert-butyl-6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridin-3-amine;N-tert-butyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridin-3-amine;bis(1,1-dichloroethane);6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridin-3-amine;methyl N-[6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridin-3-yl]carbamate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.

What is the SMILES notation for 6-bromo-N-tert-butylimidazo[1,2-a]pyridin-3-amine;N-tert-butyl-6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridin-3-amine;N-tert-butyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridin-3-amine;bis(1,1-dichloroethane);6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridin-3-amine;methyl N-[6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridin-3-yl]carbamate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The canonical SMILES for 6-bromo-N-tert-butylimidazo[1,2-a]pyridin-3-amine;N-tert-butyl-6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridin-3-amine;N-tert-butyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridin-3-amine;bis(1,1-dichloroethane);6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridin-3-amine;methyl N-[6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridin-3-yl]carbamate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is CC(C)(C)Nc1cnc2ccc(-c3c(-c4ccc(F)cc4)ncn3CC(F)F)cn12.CC(C)(C)Nc1cnc2ccc(B3OC(C)(C)C(C)(C)O3)cn12.CC(C)(C)Nc1cnc2ccc(Br)cn12.CC(Cl)Cl.CC(Cl)Cl.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.COC(=O)Nc1cnc2ccc(-c3c(-c4ccc(F)cc4)ncn3CC(F)F)cn12.Nc1cnc2ccc(-c3c(-c4ccc(F)cc4)ncn3CC(F)F)cn12.

What is the InChIKey of 6-bromo-N-tert-butylimidazo[1,2-a]pyridin-3-amine;N-tert-butyl-6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridin-3-amine;N-tert-butyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridin-3-amine;bis(1,1-dichloroethane);6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridin-3-amine;methyl N-[6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridin-3-yl]carbamate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The InChIKey is SXRLNHTVTAQPSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F3N5.C20H16F3N5O2.C18H14F3N5.C17H26BN3O2.C12H24B2O4.C11H14BrN3.2C2H4Cl2/c1-22(2,3)28-19-10-26-18-9-6-15(11-30(18)19)21-20(14-4-7-16(23)8-5-14)27-13-29(21)12-17(24)25;1-30-20(29)26-17-8-24-16-7-4-13(9-28(16)17)19-18(12-2-5-14(21)6-3-12)25-11-27(19)10-15(22)23;19-13-4-1-11(2-5-13)17-18(25(10-24-17)9-14(20)21)12-3-6-16-23-7-15(22)26(16)8-12;1-15(2,3)20-14-10-19-13-9-8-12(11-21(13)14)18-22-16(4,5)17(6,7)23-18;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-11(2,3)14-10-6-13-9-5-4-8(12)7-15(9)10;2*1-2(3)4/h4-11,13,17,28H,12H2,1-3H3;2-9,11,15H,10H2,1H3,(H,26,29);1-8,10,14H,9,22H2;8-11,20H,1-7H3;1-8H3;4-7,14H,1-3H3;2*2H,1H3.

What are the key properties of 6-bromo-N-tert-butylimidazo[1,2-a]pyridin-3-amine;N-tert-butyl-6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridin-3-amine;N-tert-butyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridin-3-amine;bis(1,1-dichloroethane);6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridin-3-amine;methyl N-[6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridin-3-yl]carbamate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

6-bromo-N-tert-butylimidazo[1,2-a]pyridin-3-amine;N-tert-butyl-6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridin-3-amine;N-tert-butyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridin-3-amine;bis(1,1-dichloroethane);6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridin-3-amine;methyl N-[6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridin-3-yl]carbamate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane has a molecular weight of 2221.41 g/mol, XLogP of 25.80, 18 rotatable bonds, 5 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromo-N-tert-butylimidazo[1,2-a]pyridin-3-amine;N-tert-butyl-6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridin-3-amine;N-tert-butyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridin-3-amine;bis(1,1-dichloroethane);6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridin-3-amine;methyl N-[6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridin-3-yl]carbamate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is sourced from PubChem (CID 160966427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).