tert-butyl N-[(5-bromo-4-methyl-3-pyridinyl)methyl]-N-methylcarbamate;tert-butyl N-[[5-[4-fluoro-3-[4-methyl-1-(2-trimethylsilylethoxymethyl)imidazole-2-carbonyl]phenyl]-4-methyl-3-pyridinyl]methyl]-N-methylcarbamate;tert-butyl N-methyl-N-[[4-methyl-5-[3-[4-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]carbamate;ethane;(2-fluoro-5-iodophenyl)-[4-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methanone;N-methyl-1-[4-methyl-5-[3-(5-methyl-1H-imidazol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methanamine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

C123H174B2BrF2IN20O15Si3 — CID 158967961

About tert-butyl N-[(5-bromo-4-methyl-3-pyridinyl)methyl]-N-methylcarbamate;tert-butyl N-[[5-[4-fluoro-3-[4-methyl-1-(2-trimethylsilylethoxymethyl)imidazole-2-carbonyl]phenyl]-4-methyl-3-pyridinyl]methyl]-N-methylcarbamate;tert-butyl N-methyl-N-[[4-methyl-5-[3-[4-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]carbamate;ethane;(2-fluoro-5-iodophenyl)-[4-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methanone;N-methyl-1-[4-methyl-5-[3-(5-methyl-1H-imidazol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methanamine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

tert-butyl N-[(5-bromo-4-methyl-3-pyridinyl)methyl]-N-methylcarbamate;tert-butyl N-[[5-[4-fluoro-3-[4-methyl-1-(2-trimethylsilylethoxymethyl)imidazole-2-carbonyl]phenyl]-4-methyl-3-pyridinyl]methyl]-N-methylcarbamate;tert-butyl N-methyl-N-[[4-methyl-5-[3-[4-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]carbamate;ethane;(2-fluoro-5-iodophenyl)-[4-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methanone;N-methyl-1-[4-methyl-5-[3-(5-methyl-1H-imidazol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methanamine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (PubChem CID 158967961) has the molecular formula C123H174B2BrF2IN20O15Si3 and a molecular weight of 2523.56 g/mol. Its IUPAC name is tert-butyl N-[(5-bromo-4-methyl-3-pyridinyl)methyl]-N-methylcarbamate;tert-butyl N-[[5-[4-fluoro-3-[4-methyl-1-(2-trimethylsilylethoxymethyl)imidazole-2-carbonyl]phenyl]-4-methyl-3-pyridinyl]methyl]-N-methylcarbamate;tert-butyl N-methyl-N-[[4-methyl-5-[3-[4-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]carbamate;ethane;(2-fluoro-5-iodophenyl)-[4-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methanone;N-methyl-1-[4-methyl-5-[3-(5-methyl-1H-imidazol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methanamine;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: tert-butyl N-[(5-bromo-4-methyl-3-pyridinyl)methyl]-N-methylcarbamate;tert-butyl N-[[5-[4-fluoro-3-[4-methyl-1-(2-trimethylsilylethoxymethyl)imidazole-2-carbonyl]phenyl]-4-methyl-3-pyridinyl]methyl]-N-methylcarbamate;tert-butyl N-methyl-N-[[4-methyl-5-[3-[4-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]carbamate;ethane;(2-fluoro-5-iodophenyl)-[4-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methanone;N-methyl-1-[4-methyl-5-[3-(5-methyl-1H-imidazol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methanamine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• PubChem CID: 158967961
• Molecular Formula: C123H174B2BrF2IN20O15Si3
• Molecular Weight: 2523.56 g/mol
• Exact Mass: 2521.12
• IUPAC Name: tert-butyl N-[(5-bromo-4-methyl-3-pyridinyl)methyl]-N-methylcarbamate;tert-butyl N-[[5-[4-fluoro-3-[4-methyl-1-(2-trimethylsilylethoxymethyl)imidazole-2-carbonyl]phenyl]-4-methyl-3-pyridinyl]methyl]-N-methylcarbamate;tert-butyl N-methyl-N-[[4-methyl-5-[3-[4-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]carbamate;ethane;(2-fluoro-5-iodophenyl)-[4-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methanone;N-methyl-1-[4-methyl-5-[3-(5-methyl-1H-imidazol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methanamine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• SMILES: CC.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CNCc1cncc(-c2ccc3[nH]nc(-c4ncc(C)[nH]4)c3c2)c1C.Cc1c(Br)cncc1CN(C)C(=O)OC(C)(C)C.Cc1cn(COCC[Si](C)(C)C)c(-c2n[nH]c3ccc(-c4cncc(CN(C)C(=O)OC(C)(C)C)c4C)cc23)n1.Cc1cn(COCC[Si](C)(C)C)c(C(=O)c2cc(-c3cncc(CN(C)C(=O)OC(C)(C)C)c3C)ccc2F)n1.Cc1cn(COCC[Si](C)(C)C)c(C(=O)c2cc(I)ccc2F)n1
• InChI: InChI=1S/C30H41FN4O4Si.C30H42N6O3Si.C19H20N6.C17H22FIN2O2Si.C13H19BrN2O2.C12H24B2O4.C2H6/c1-20-17-35(19-38-12-13-40(7,8)9)28(33-20)27(36)24-14-22(10-11-26(24)31)25-16-32-15-23(21(25)2)18-34(6)29(37)39-30(3,4)5;1-20-17-36(19-38-12-13-40(7,8)9)28(32-20)27-24-14-22(10-11-26(24)33-34-27)25-16-31-15-23(21(25)2)18-35(6)29(37)39-30(3,4)5;1-11-7-22-19(23-11)18-15-6-13(4-5-17(15)24-25-18)16-10-21-9-14(8-20-3)12(16)2;1-12-10-21(11-23-7-8-24(2,3)4)17(20-12)16(22)14-9-13(19)5-6-15(14)18;1-9-10(6-15-7-11(9)14)8-16(5)12(17)18-13(2,3)4;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-2/h10-11,14-17H,12-13,18-19H2,1-9H3;10-11,14-17H,12-13,18-19H2,1-9H3,(H,33,34);4-7,9-10,20H,8H2,1-3H3,(H,22,23)(H,24,25);5-6,9-10H,7-8,11H2,1-4H3;6-7H,8H2,1-5H3;1-8H3;1-2H3
• InChIKey: JNLHNQBZHSBADV-UHFFFAOYSA-N
• XLogP: 28.02
• TPSA: 390.46 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 29
• Rotatable Bonds: 33
• Heavy Atoms: 167
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2523.56
LogP ≤ 5	28.02
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(5-bromo-4-methyl-3-pyridinyl)methyl]-N-methylcarbamate;tert-butyl N-[[5-[4-fluoro-3-[4-methyl-1-(2-trimethylsilylethoxymethyl)imidazole-2-carbonyl]phenyl]-4-methyl-3-pyridinyl]methyl]-N-methylcarbamate;tert-butyl N-methyl-N-[[4-methyl-5-[3-[4-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]carbamate;ethane;(2-fluoro-5-iodophenyl)-[4-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methanone;N-methyl-1-[4-methyl-5-[3-(5-methyl-1H-imidazol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methanamine;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 tert-butyl N-[(5-bromo-4-methyl-3-pyridinyl)methyl]-N-methylcarbamate;tert-butyl N-[[5-[4-fluoro-3-[4-methyl-1-(2-trimethylsilylethoxymethyl)imidazole-2-carbonyl]phenyl]-4-methyl-3-pyridinyl]methyl]-N-methylcarbamate;tert-butyl N-methyl-N-[[4-methyl-5-[3-[4-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]carbamate;ethane;(2-fluoro-5-iodophenyl)-[4-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methanone;N-methyl-1-[4-methyl-5-[3-(5-methyl-1H-imidazol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methanamine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (CID 158967961) is tert-butyl N-[(5-bromo-4-methyl-3-pyridinyl)methyl]-N-methylcarbamate;tert-butyl N-[[5-[4-fluoro-3-[4-methyl-1-(2-trimethylsilylethoxymethyl)imidazole-2-carbonyl]phenyl]-4-methyl-3-pyridinyl]methyl]-N-methylcarbamate;tert-butyl N-methyl-N-[[4-methyl-5-[3-[4-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]carbamate;ethane;(2-fluoro-5-iodophenyl)-[4-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methanone;N-methyl-1-[4-methyl-5-[3-(5-methyl-1H-imidazol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methanamine;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 tert-butyl N-[(5-bromo-4-methyl-3-pyridinyl)methyl]-N-methylcarbamate;tert-butyl N-[[5-[4-fluoro-3-[4-methyl-1-(2-trimethylsilylethoxymethyl)imidazole-2-carbonyl]phenyl]-4-methyl-3-pyridinyl]methyl]-N-methylcarbamate;tert-butyl N-methyl-N-[[4-methyl-5-[3-[4-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]carbamate;ethane;(2-fluoro-5-iodophenyl)-[4-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methanone;N-methyl-1-[4-methyl-5-[3-(5-methyl-1H-imidazol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methanamine;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 tert-butyl N-[(5-bromo-4-methyl-3-pyridinyl)methyl]-N-methylcarbamate;tert-butyl N-[[5-[4-fluoro-3-[4-methyl-1-(2-trimethylsilylethoxymethyl)imidazole-2-carbonyl]phenyl]-4-methyl-3-pyridinyl]methyl]-N-methylcarbamate;tert-butyl N-methyl-N-[[4-methyl-5-[3-[4-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]carbamate;ethane;(2-fluoro-5-iodophenyl)-[4-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methanone;N-methyl-1-[4-methyl-5-[3-(5-methyl-1H-imidazol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methanamine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is CC.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CNCc1cncc(-c2ccc3[nH]nc(-c4ncc(C)[nH]4)c3c2)c1C.Cc1c(Br)cncc1CN(C)C(=O)OC(C)(C)C.Cc1cn(COCC[Si](C)(C)C)c(-c2n[nH]c3ccc(-c4cncc(CN(C)C(=O)OC(C)(C)C)c4C)cc23)n1.Cc1cn(COCC[Si](C)(C)C)c(C(=O)c2cc(-c3cncc(CN(C)C(=O)OC(C)(C)C)c3C)ccc2F)n1.Cc1cn(COCC[Si](C)(C)C)c(C(=O)c2cc(I)ccc2F)n1.

What is the InChIKey of tert-butyl N-[(5-bromo-4-methyl-3-pyridinyl)methyl]-N-methylcarbamate;tert-butyl N-[[5-[4-fluoro-3-[4-methyl-1-(2-trimethylsilylethoxymethyl)imidazole-2-carbonyl]phenyl]-4-methyl-3-pyridinyl]methyl]-N-methylcarbamate;tert-butyl N-methyl-N-[[4-methyl-5-[3-[4-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]carbamate;ethane;(2-fluoro-5-iodophenyl)-[4-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methanone;N-methyl-1-[4-methyl-5-[3-(5-methyl-1H-imidazol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methanamine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The InChIKey is JNLHNQBZHSBADV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H41FN4O4Si.C30H42N6O3Si.C19H20N6.C17H22FIN2O2Si.C13H19BrN2O2.C12H24B2O4.C2H6/c1-20-17-35(19-38-12-13-40(7,8)9)28(33-20)27(36)24-14-22(10-11-26(24)31)25-16-32-15-23(21(25)2)18-34(6)29(37)39-30(3,4)5;1-20-17-36(19-38-12-13-40(7,8)9)28(32-20)27-24-14-22(10-11-26(24)33-34-27)25-16-31-15-23(21(25)2)18-35(6)29(37)39-30(3,4)5;1-11-7-22-19(23-11)18-15-6-13(4-5-17(15)24-25-18)16-10-21-9-14(8-20-3)12(16)2;1-12-10-21(11-23-7-8-24(2,3)4)17(20-12)16(22)14-9-13(19)5-6-15(14)18;1-9-10(6-15-7-11(9)14)8-16(5)12(17)18-13(2,3)4;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-2/h10-11,14-17H,12-13,18-19H2,1-9H3;10-11,14-17H,12-13,18-19H2,1-9H3,(H,33,34);4-7,9-10,20H,8H2,1-3H3,(H,22,23)(H,24,25);5-6,9-10H,7-8,11H2,1-4H3;6-7H,8H2,1-5H3;1-8H3;1-2H3.

What are the key properties of tert-butyl N-[(5-bromo-4-methyl-3-pyridinyl)methyl]-N-methylcarbamate;tert-butyl N-[[5-[4-fluoro-3-[4-methyl-1-(2-trimethylsilylethoxymethyl)imidazole-2-carbonyl]phenyl]-4-methyl-3-pyridinyl]methyl]-N-methylcarbamate;tert-butyl N-methyl-N-[[4-methyl-5-[3-[4-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]carbamate;ethane;(2-fluoro-5-iodophenyl)-[4-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methanone;N-methyl-1-[4-methyl-5-[3-(5-methyl-1H-imidazol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methanamine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

tert-butyl N-[(5-bromo-4-methyl-3-pyridinyl)methyl]-N-methylcarbamate;tert-butyl N-[[5-[4-fluoro-3-[4-methyl-1-(2-trimethylsilylethoxymethyl)imidazole-2-carbonyl]phenyl]-4-methyl-3-pyridinyl]methyl]-N-methylcarbamate;tert-butyl N-methyl-N-[[4-methyl-5-[3-[4-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]carbamate;ethane;(2-fluoro-5-iodophenyl)-[4-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methanone;N-methyl-1-[4-methyl-5-[3-(5-methyl-1H-imidazol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methanamine;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 2523.56 g/mol, XLogP of 28.02, 33 rotatable bonds, 4 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[(5-bromo-4-methyl-3-pyridinyl)methyl]-N-methylcarbamate;tert-butyl N-[[5-[4-fluoro-3-[4-methyl-1-(2-trimethylsilylethoxymethyl)imidazole-2-carbonyl]phenyl]-4-methyl-3-pyridinyl]methyl]-N-methylcarbamate;tert-butyl N-methyl-N-[[4-methyl-5-[3-[4-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]carbamate;ethane;(2-fluoro-5-iodophenyl)-[4-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methanone;N-methyl-1-[4-methyl-5-[3-(5-methyl-1H-imidazol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methanamine;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 158967961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).