tert-butyl N-[(5-bromo-4-methyl-3-pyridinyl)methyl]-N-ethylcarbamate;tert-butyl N-ethyl-N-[[4-methyl-5-[1-(oxan-2-yl)-3-[2-pyridin-4-yl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]indazol-5-yl]-3-pyridinyl]methyl]carbamate;tert-butyl N-ethyl-N-[[4-methyl-5-[3-(2-pyridin-4-yl-1H-imidazol-5-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]carbamate;ethane;trimethyl-[2-[[5-[1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-3-yl]-2-pyridin-4-ylimidazol-1-yl]methoxy]ethyl]silane

C117H155BBrN21O12Si2 — CID 158565325

About tert-butyl N-[(5-bromo-4-methyl-3-pyridinyl)methyl]-N-ethylcarbamate;tert-butyl N-ethyl-N-[[4-methyl-5-[1-(oxan-2-yl)-3-[2-pyridin-4-yl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]indazol-5-yl]-3-pyridinyl]methyl]carbamate;tert-butyl N-ethyl-N-[[4-methyl-5-[3-(2-pyridin-4-yl-1H-imidazol-5-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]carbamate;ethane;trimethyl-[2-[[5-[1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-3-yl]-2-pyridin-4-ylimidazol-1-yl]methoxy]ethyl]silane

tert-butyl N-[(5-bromo-4-methyl-3-pyridinyl)methyl]-N-ethylcarbamate;tert-butyl N-ethyl-N-[[4-methyl-5-[1-(oxan-2-yl)-3-[2-pyridin-4-yl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]indazol-5-yl]-3-pyridinyl]methyl]carbamate;tert-butyl N-ethyl-N-[[4-methyl-5-[3-(2-pyridin-4-yl-1H-imidazol-5-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]carbamate;ethane;trimethyl-[2-[[5-[1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-3-yl]-2-pyridin-4-ylimidazol-1-yl]methoxy]ethyl]silane (PubChem CID 158565325) has the molecular formula C117H155BBrN21O12Si2 and a molecular weight of 2194.55 g/mol. Its IUPAC name is tert-butyl N-[(5-bromo-4-methyl-3-pyridinyl)methyl]-N-ethylcarbamate;tert-butyl N-ethyl-N-[[4-methyl-5-[1-(oxan-2-yl)-3-[2-pyridin-4-yl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]indazol-5-yl]-3-pyridinyl]methyl]carbamate;tert-butyl N-ethyl-N-[[4-methyl-5-[3-(2-pyridin-4-yl-1H-imidazol-5-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]carbamate;ethane;trimethyl-[2-[[5-[1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-3-yl]-2-pyridin-4-ylimidazol-1-yl]methoxy]ethyl]silane.

Molecular Properties

• Compound Name: tert-butyl N-[(5-bromo-4-methyl-3-pyridinyl)methyl]-N-ethylcarbamate;tert-butyl N-ethyl-N-[[4-methyl-5-[1-(oxan-2-yl)-3-[2-pyridin-4-yl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]indazol-5-yl]-3-pyridinyl]methyl]carbamate;tert-butyl N-ethyl-N-[[4-methyl-5-[3-(2-pyridin-4-yl-1H-imidazol-5-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]carbamate;ethane;trimethyl-[2-[[5-[1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-3-yl]-2-pyridin-4-ylimidazol-1-yl]methoxy]ethyl]silane
• PubChem CID: 158565325
• Molecular Formula: C117H155BBrN21O12Si2
• Molecular Weight: 2194.55 g/mol
• Exact Mass: 2192.10
• IUPAC Name: tert-butyl N-[(5-bromo-4-methyl-3-pyridinyl)methyl]-N-ethylcarbamate;tert-butyl N-ethyl-N-[[4-methyl-5-[1-(oxan-2-yl)-3-[2-pyridin-4-yl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]indazol-5-yl]-3-pyridinyl]methyl]carbamate;tert-butyl N-ethyl-N-[[4-methyl-5-[3-(2-pyridin-4-yl-1H-imidazol-5-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]carbamate;ethane;trimethyl-[2-[[5-[1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-3-yl]-2-pyridin-4-ylimidazol-1-yl]methoxy]ethyl]silane
• SMILES: CC.CC1(C)OB(c2ccc3c(c2)c(-c2cnc(-c4ccncc4)n2COCC[Si](C)(C)C)nn3C2CCCCO2)OC1(C)C.CCN(Cc1cncc(-c2ccc3[nH]nc(-c4cnc(-c5ccncc5)[nH]4)c3c2)c1C)C(=O)OC(C)(C)C.CCN(Cc1cncc(-c2ccc3c(c2)c(-c2cnc(-c4ccncc4)n2COCC[Si](C)(C)C)nn3C2CCCCO2)c1C)C(=O)OC(C)(C)C.CCN(Cc1cncc(Br)c1C)C(=O)OC(C)(C)C
• InChI: InChI=1S/C40H53N7O4Si.C32H44BN5O4Si.C29H31N7O2.C14H21BrN2O2.C2H6/c1-9-45(39(48)51-40(3,4)5)26-31-23-42-24-33(28(31)2)30-13-14-34-32(22-30)37(44-47(34)36-12-10-11-19-50-36)35-25-43-38(29-15-17-41-18-16-29)46(35)27-49-20-21-52(6,7)8;1-31(2)32(3,4)42-33(41-31)24-11-12-26-25(20-24)29(36-38(26)28-10-8-9-17-40-28)27-21-35-30(23-13-15-34-16-14-23)37(27)22-39-18-19-43(5,6)7;1-6-36(28(37)38-29(3,4)5)17-21-14-31-15-23(18(21)2)20-7-8-24-22(13-20)26(35-34-24)25-16-32-27(33-25)19-9-11-30-12-10-19;1-6-17(13(18)19-14(3,4)5)9-11-7-16-8-12(15)10(11)2;1-2/h13-18,22-25,36H,9-12,19-21,26-27H2,1-8H3;11-16,20-21,28H,8-10,17-19,22H2,1-7H3;7-16H,6,17H2,1-5H3,(H,32,33)(H,34,35);7-8H,6,9H2,1-5H3;1-2H3
• InChIKey: HRKCRWOEVZPKPL-UHFFFAOYSA-N
• XLogP: 26.45
• TPSA: 349.98 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 28
• Rotatable Bonds: 30
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2194.55
LogP ≤ 5	26.45
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	28

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'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(5-bromo-4-methyl-3-pyridinyl)methyl]-N-ethylcarbamate;tert-butyl N-ethyl-N-[[4-methyl-5-[1-(oxan-2-yl)-3-[2-pyridin-4-yl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]indazol-5-yl]-3-pyridinyl]methyl]carbamate;tert-butyl N-ethyl-N-[[4-methyl-5-[3-(2-pyridin-4-yl-1H-imidazol-5-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]carbamate;ethane;trimethyl-[2-[[5-[1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-3-yl]-2-pyridin-4-ylimidazol-1-yl]methoxy]ethyl]silane?

The IUPAC name of tert-butyl N-[(5-bromo-4-methyl-3-pyridinyl)methyl]-N-ethylcarbamate;tert-butyl N-ethyl-N-[[4-methyl-5-[1-(oxan-2-yl)-3-[2-pyridin-4-yl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]indazol-5-yl]-3-pyridinyl]methyl]carbamate;tert-butyl N-ethyl-N-[[4-methyl-5-[3-(2-pyridin-4-yl-1H-imidazol-5-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]carbamate;ethane;trimethyl-[2-[[5-[1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-3-yl]-2-pyridin-4-ylimidazol-1-yl]methoxy]ethyl]silane (CID 158565325) is tert-butyl N-[(5-bromo-4-methyl-3-pyridinyl)methyl]-N-ethylcarbamate;tert-butyl N-ethyl-N-[[4-methyl-5-[1-(oxan-2-yl)-3-[2-pyridin-4-yl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]indazol-5-yl]-3-pyridinyl]methyl]carbamate;tert-butyl N-ethyl-N-[[4-methyl-5-[3-(2-pyridin-4-yl-1H-imidazol-5-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]carbamate;ethane;trimethyl-[2-[[5-[1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-3-yl]-2-pyridin-4-ylimidazol-1-yl]methoxy]ethyl]silane.

What is the SMILES notation for tert-butyl N-[(5-bromo-4-methyl-3-pyridinyl)methyl]-N-ethylcarbamate;tert-butyl N-ethyl-N-[[4-methyl-5-[1-(oxan-2-yl)-3-[2-pyridin-4-yl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]indazol-5-yl]-3-pyridinyl]methyl]carbamate;tert-butyl N-ethyl-N-[[4-methyl-5-[3-(2-pyridin-4-yl-1H-imidazol-5-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]carbamate;ethane;trimethyl-[2-[[5-[1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-3-yl]-2-pyridin-4-ylimidazol-1-yl]methoxy]ethyl]silane?

The canonical SMILES for tert-butyl N-[(5-bromo-4-methyl-3-pyridinyl)methyl]-N-ethylcarbamate;tert-butyl N-ethyl-N-[[4-methyl-5-[1-(oxan-2-yl)-3-[2-pyridin-4-yl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]indazol-5-yl]-3-pyridinyl]methyl]carbamate;tert-butyl N-ethyl-N-[[4-methyl-5-[3-(2-pyridin-4-yl-1H-imidazol-5-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]carbamate;ethane;trimethyl-[2-[[5-[1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-3-yl]-2-pyridin-4-ylimidazol-1-yl]methoxy]ethyl]silane is CC.CC1(C)OB(c2ccc3c(c2)c(-c2cnc(-c4ccncc4)n2COCC[Si](C)(C)C)nn3C2CCCCO2)OC1(C)C.CCN(Cc1cncc(-c2ccc3[nH]nc(-c4cnc(-c5ccncc5)[nH]4)c3c2)c1C)C(=O)OC(C)(C)C.CCN(Cc1cncc(-c2ccc3c(c2)c(-c2cnc(-c4ccncc4)n2COCC[Si](C)(C)C)nn3C2CCCCO2)c1C)C(=O)OC(C)(C)C.CCN(Cc1cncc(Br)c1C)C(=O)OC(C)(C)C.

What is the InChIKey of tert-butyl N-[(5-bromo-4-methyl-3-pyridinyl)methyl]-N-ethylcarbamate;tert-butyl N-ethyl-N-[[4-methyl-5-[1-(oxan-2-yl)-3-[2-pyridin-4-yl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]indazol-5-yl]-3-pyridinyl]methyl]carbamate;tert-butyl N-ethyl-N-[[4-methyl-5-[3-(2-pyridin-4-yl-1H-imidazol-5-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]carbamate;ethane;trimethyl-[2-[[5-[1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-3-yl]-2-pyridin-4-ylimidazol-1-yl]methoxy]ethyl]silane?

The InChIKey is HRKCRWOEVZPKPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H53N7O4Si.C32H44BN5O4Si.C29H31N7O2.C14H21BrN2O2.C2H6/c1-9-45(39(48)51-40(3,4)5)26-31-23-42-24-33(28(31)2)30-13-14-34-32(22-30)37(44-47(34)36-12-10-11-19-50-36)35-25-43-38(29-15-17-41-18-16-29)46(35)27-49-20-21-52(6,7)8;1-31(2)32(3,4)42-33(41-31)24-11-12-26-25(20-24)29(36-38(26)28-10-8-9-17-40-28)27-21-35-30(23-13-15-34-16-14-23)37(27)22-39-18-19-43(5,6)7;1-6-36(28(37)38-29(3,4)5)17-21-14-31-15-23(18(21)2)20-7-8-24-22(13-20)26(35-34-24)25-16-32-27(33-25)19-9-11-30-12-10-19;1-6-17(13(18)19-14(3,4)5)9-11-7-16-8-12(15)10(11)2;1-2/h13-18,22-25,36H,9-12,19-21,26-27H2,1-8H3;11-16,20-21,28H,8-10,17-19,22H2,1-7H3;7-16H,6,17H2,1-5H3,(H,32,33)(H,34,35);7-8H,6,9H2,1-5H3;1-2H3.

What are the key properties of tert-butyl N-[(5-bromo-4-methyl-3-pyridinyl)methyl]-N-ethylcarbamate;tert-butyl N-ethyl-N-[[4-methyl-5-[1-(oxan-2-yl)-3-[2-pyridin-4-yl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]indazol-5-yl]-3-pyridinyl]methyl]carbamate;tert-butyl N-ethyl-N-[[4-methyl-5-[3-(2-pyridin-4-yl-1H-imidazol-5-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]carbamate;ethane;trimethyl-[2-[[5-[1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-3-yl]-2-pyridin-4-ylimidazol-1-yl]methoxy]ethyl]silane?

tert-butyl N-[(5-bromo-4-methyl-3-pyridinyl)methyl]-N-ethylcarbamate;tert-butyl N-ethyl-N-[[4-methyl-5-[1-(oxan-2-yl)-3-[2-pyridin-4-yl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]indazol-5-yl]-3-pyridinyl]methyl]carbamate;tert-butyl N-ethyl-N-[[4-methyl-5-[3-(2-pyridin-4-yl-1H-imidazol-5-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]carbamate;ethane;trimethyl-[2-[[5-[1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-3-yl]-2-pyridin-4-ylimidazol-1-yl]methoxy]ethyl]silane has a molecular weight of 2194.55 g/mol, XLogP of 26.45, 30 rotatable bonds, 2 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[(5-bromo-4-methyl-3-pyridinyl)methyl]-N-ethylcarbamate;tert-butyl N-ethyl-N-[[4-methyl-5-[1-(oxan-2-yl)-3-[2-pyridin-4-yl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]indazol-5-yl]-3-pyridinyl]methyl]carbamate;tert-butyl N-ethyl-N-[[4-methyl-5-[3-(2-pyridin-4-yl-1H-imidazol-5-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]carbamate;ethane;trimethyl-[2-[[5-[1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-3-yl]-2-pyridin-4-ylimidazol-1-yl]methoxy]ethyl]silane is sourced from PubChem (CID 158565325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).