tert-butyl 2-[5-[[1-[(3,4-difluorophenyl)methyl]pyrazol-4-yl]carbamoyl]-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]-5-ethylindole-1-carboxylate;tert-butyl 2-[5-[[1-[(3,4-difluorophenyl)methyl]pyrazol-4-yl]carbamoyl]-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]-5-[(4-fluoropiperidin-1-yl)methyl]indole-1-carboxylate;tert-butyl 2-[5-[[1-[(3,4-difluorophenyl)methyl]pyrazol-4-yl]carbamoyl]-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]-5-methoxyindole-1-carboxylate

C114H133F7N16O16Si3 — CID 158854069

About tert-butyl 2-[5-[[1-[(3,4-difluorophenyl)methyl]pyrazol-4-yl]carbamoyl]-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]-5-ethylindole-1-carboxylate;tert-butyl 2-[5-[[1-[(3,4-difluorophenyl)methyl]pyrazol-4-yl]carbamoyl]-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]-5-[(4-fluoropiperidin-1-yl)methyl]indole-1-carboxylate;tert-butyl 2-[5-[[1-[(3,4-difluorophenyl)methyl]pyrazol-4-yl]carbamoyl]-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]-5-methoxyindole-1-carboxylate

tert-butyl 2-[5-[[1-[(3,4-difluorophenyl)methyl]pyrazol-4-yl]carbamoyl]-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]-5-ethylindole-1-carboxylate;tert-butyl 2-[5-[[1-[(3,4-difluorophenyl)methyl]pyrazol-4-yl]carbamoyl]-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]-5-[(4-fluoropiperidin-1-yl)methyl]indole-1-carboxylate;tert-butyl 2-[5-[[1-[(3,4-difluorophenyl)methyl]pyrazol-4-yl]carbamoyl]-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]-5-methoxyindole-1-carboxylate (PubChem CID 158854069) has the molecular formula C114H133F7N16O16Si3 and a molecular weight of 2200.66 g/mol. Its IUPAC name is tert-butyl 2-[5-[[1-[(3,4-difluorophenyl)methyl]pyrazol-4-yl]carbamoyl]-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]-5-ethylindole-1-carboxylate;tert-butyl 2-[5-[[1-[(3,4-difluorophenyl)methyl]pyrazol-4-yl]carbamoyl]-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]-5-[(4-fluoropiperidin-1-yl)methyl]indole-1-carboxylate;tert-butyl 2-[5-[[1-[(3,4-difluorophenyl)methyl]pyrazol-4-yl]carbamoyl]-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]-5-methoxyindole-1-carboxylate.

Molecular Properties

• Compound Name: tert-butyl 2-[5-[[1-[(3,4-difluorophenyl)methyl]pyrazol-4-yl]carbamoyl]-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]-5-ethylindole-1-carboxylate;tert-butyl 2-[5-[[1-[(3,4-difluorophenyl)methyl]pyrazol-4-yl]carbamoyl]-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]-5-[(4-fluoropiperidin-1-yl)methyl]indole-1-carboxylate;tert-butyl 2-[5-[[1-[(3,4-difluorophenyl)methyl]pyrazol-4-yl]carbamoyl]-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]-5-methoxyindole-1-carboxylate
• PubChem CID: 158854069
• Molecular Formula: C114H133F7N16O16Si3
• Molecular Weight: 2200.66 g/mol
• Exact Mass: 2198.93
• IUPAC Name: tert-butyl 2-[5-[[1-[(3,4-difluorophenyl)methyl]pyrazol-4-yl]carbamoyl]-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]-5-ethylindole-1-carboxylate;tert-butyl 2-[5-[[1-[(3,4-difluorophenyl)methyl]pyrazol-4-yl]carbamoyl]-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]-5-[(4-fluoropiperidin-1-yl)methyl]indole-1-carboxylate;tert-butyl 2-[5-[[1-[(3,4-difluorophenyl)methyl]pyrazol-4-yl]carbamoyl]-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]-5-methoxyindole-1-carboxylate
• SMILES: CC(C)(C)OC(=O)n1c(-c2cc(C(=O)Nc3cnn(Cc4ccc(F)c(F)c4)c3)cn(COCC[Si](C)(C)C)c2=O)cc2cc(CN3CCC(F)CC3)ccc21.CCc1ccc2c(c1)cc(-c1cc(C(=O)Nc3cnn(Cc4ccc(F)c(F)c4)c3)cn(COCC[Si](C)(C)C)c1=O)n2C(=O)OC(C)(C)C.COc1ccc2c(c1)cc(-c1cc(C(=O)Nc3cnn(Cc4ccc(F)c(F)c4)c3)cn(COCC[Si](C)(C)C)c1=O)n2C(=O)OC(C)(C)C
• InChI: InChI=1S/C41H49F3N6O5Si.C37H43F2N5O5Si.C36H41F2N5O6Si/c1-41(2,3)55-40(53)50-36-10-8-27(22-47-13-11-31(42)12-14-47)17-29(36)20-37(50)33-19-30(24-48(39(33)52)26-54-15-16-56(4,5)6)38(51)46-32-21-45-49(25-32)23-28-7-9-34(43)35(44)18-28;1-8-24-10-12-32-26(15-24)18-33(44(32)36(47)49-37(2,3)4)29-17-27(21-42(35(29)46)23-48-13-14-50(5,6)7)34(45)41-28-19-40-43(22-28)20-25-9-11-30(38)31(39)16-25;1-36(2,3)49-35(46)43-31-11-9-27(47-4)15-24(31)17-32(43)28-16-25(20-41(34(28)45)22-48-12-13-50(5,6)7)33(44)40-26-18-39-42(21-26)19-23-8-10-29(37)30(38)14-23/h7-10,17-21,24-25,31H,11-16,22-23,26H2,1-6H3,(H,46,51);9-12,15-19,21-22H,8,13-14,20,23H2,1-7H3,(H,41,45);8-11,14-18,20-21H,12-13,19,22H2,1-7H3,(H,40,44)
• InChIKey: IZUXDYCOKDNXLY-UHFFFAOYSA-N
• XLogP: 23.53
• TPSA: 340.61 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 29
• Rotatable Bonds: 34
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2200.66
LogP ≤ 5	23.53
H-Bond Donors ≤ 5	3
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'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[5-[[1-[(3,4-difluorophenyl)methyl]pyrazol-4-yl]carbamoyl]-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]-5-ethylindole-1-carboxylate;tert-butyl 2-[5-[[1-[(3,4-difluorophenyl)methyl]pyrazol-4-yl]carbamoyl]-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]-5-[(4-fluoropiperidin-1-yl)methyl]indole-1-carboxylate;tert-butyl 2-[5-[[1-[(3,4-difluorophenyl)methyl]pyrazol-4-yl]carbamoyl]-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]-5-methoxyindole-1-carboxylate?

The IUPAC name of tert-butyl 2-[5-[[1-[(3,4-difluorophenyl)methyl]pyrazol-4-yl]carbamoyl]-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]-5-ethylindole-1-carboxylate;tert-butyl 2-[5-[[1-[(3,4-difluorophenyl)methyl]pyrazol-4-yl]carbamoyl]-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]-5-[(4-fluoropiperidin-1-yl)methyl]indole-1-carboxylate;tert-butyl 2-[5-[[1-[(3,4-difluorophenyl)methyl]pyrazol-4-yl]carbamoyl]-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]-5-methoxyindole-1-carboxylate (CID 158854069) is tert-butyl 2-[5-[[1-[(3,4-difluorophenyl)methyl]pyrazol-4-yl]carbamoyl]-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]-5-ethylindole-1-carboxylate;tert-butyl 2-[5-[[1-[(3,4-difluorophenyl)methyl]pyrazol-4-yl]carbamoyl]-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]-5-[(4-fluoropiperidin-1-yl)methyl]indole-1-carboxylate;tert-butyl 2-[5-[[1-[(3,4-difluorophenyl)methyl]pyrazol-4-yl]carbamoyl]-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]-5-methoxyindole-1-carboxylate.

What is the SMILES notation for tert-butyl 2-[5-[[1-[(3,4-difluorophenyl)methyl]pyrazol-4-yl]carbamoyl]-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]-5-ethylindole-1-carboxylate;tert-butyl 2-[5-[[1-[(3,4-difluorophenyl)methyl]pyrazol-4-yl]carbamoyl]-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]-5-[(4-fluoropiperidin-1-yl)methyl]indole-1-carboxylate;tert-butyl 2-[5-[[1-[(3,4-difluorophenyl)methyl]pyrazol-4-yl]carbamoyl]-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]-5-methoxyindole-1-carboxylate?

The canonical SMILES for tert-butyl 2-[5-[[1-[(3,4-difluorophenyl)methyl]pyrazol-4-yl]carbamoyl]-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]-5-ethylindole-1-carboxylate;tert-butyl 2-[5-[[1-[(3,4-difluorophenyl)methyl]pyrazol-4-yl]carbamoyl]-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]-5-[(4-fluoropiperidin-1-yl)methyl]indole-1-carboxylate;tert-butyl 2-[5-[[1-[(3,4-difluorophenyl)methyl]pyrazol-4-yl]carbamoyl]-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]-5-methoxyindole-1-carboxylate is CC(C)(C)OC(=O)n1c(-c2cc(C(=O)Nc3cnn(Cc4ccc(F)c(F)c4)c3)cn(COCC[Si](C)(C)C)c2=O)cc2cc(CN3CCC(F)CC3)ccc21.CCc1ccc2c(c1)cc(-c1cc(C(=O)Nc3cnn(Cc4ccc(F)c(F)c4)c3)cn(COCC[Si](C)(C)C)c1=O)n2C(=O)OC(C)(C)C.COc1ccc2c(c1)cc(-c1cc(C(=O)Nc3cnn(Cc4ccc(F)c(F)c4)c3)cn(COCC[Si](C)(C)C)c1=O)n2C(=O)OC(C)(C)C.

What is the InChIKey of tert-butyl 2-[5-[[1-[(3,4-difluorophenyl)methyl]pyrazol-4-yl]carbamoyl]-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]-5-ethylindole-1-carboxylate;tert-butyl 2-[5-[[1-[(3,4-difluorophenyl)methyl]pyrazol-4-yl]carbamoyl]-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]-5-[(4-fluoropiperidin-1-yl)methyl]indole-1-carboxylate;tert-butyl 2-[5-[[1-[(3,4-difluorophenyl)methyl]pyrazol-4-yl]carbamoyl]-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]-5-methoxyindole-1-carboxylate?

The InChIKey is IZUXDYCOKDNXLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H49F3N6O5Si.C37H43F2N5O5Si.C36H41F2N5O6Si/c1-41(2,3)55-40(53)50-36-10-8-27(22-47-13-11-31(42)12-14-47)17-29(36)20-37(50)33-19-30(24-48(39(33)52)26-54-15-16-56(4,5)6)38(51)46-32-21-45-49(25-32)23-28-7-9-34(43)35(44)18-28;1-8-24-10-12-32-26(15-24)18-33(44(32)36(47)49-37(2,3)4)29-17-27(21-42(35(29)46)23-48-13-14-50(5,6)7)34(45)41-28-19-40-43(22-28)20-25-9-11-30(38)31(39)16-25;1-36(2,3)49-35(46)43-31-11-9-27(47-4)15-24(31)17-32(43)28-16-25(20-41(34(28)45)22-48-12-13-50(5,6)7)33(44)40-26-18-39-42(21-26)19-23-8-10-29(37)30(38)14-23/h7-10,17-21,24-25,31H,11-16,22-23,26H2,1-6H3,(H,46,51);9-12,15-19,21-22H,8,13-14,20,23H2,1-7H3,(H,41,45);8-11,14-18,20-21H,12-13,19,22H2,1-7H3,(H,40,44).

What are the key properties of tert-butyl 2-[5-[[1-[(3,4-difluorophenyl)methyl]pyrazol-4-yl]carbamoyl]-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]-5-ethylindole-1-carboxylate;tert-butyl 2-[5-[[1-[(3,4-difluorophenyl)methyl]pyrazol-4-yl]carbamoyl]-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]-5-[(4-fluoropiperidin-1-yl)methyl]indole-1-carboxylate;tert-butyl 2-[5-[[1-[(3,4-difluorophenyl)methyl]pyrazol-4-yl]carbamoyl]-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]-5-methoxyindole-1-carboxylate?

tert-butyl 2-[5-[[1-[(3,4-difluorophenyl)methyl]pyrazol-4-yl]carbamoyl]-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]-5-ethylindole-1-carboxylate;tert-butyl 2-[5-[[1-[(3,4-difluorophenyl)methyl]pyrazol-4-yl]carbamoyl]-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]-5-[(4-fluoropiperidin-1-yl)methyl]indole-1-carboxylate;tert-butyl 2-[5-[[1-[(3,4-difluorophenyl)methyl]pyrazol-4-yl]carbamoyl]-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]-5-methoxyindole-1-carboxylate has a molecular weight of 2200.66 g/mol, XLogP of 23.53, 34 rotatable bonds, 3 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 2-[5-[[1-[(3,4-difluorophenyl)methyl]pyrazol-4-yl]carbamoyl]-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]-5-ethylindole-1-carboxylate;tert-butyl 2-[5-[[1-[(3,4-difluorophenyl)methyl]pyrazol-4-yl]carbamoyl]-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]-5-[(4-fluoropiperidin-1-yl)methyl]indole-1-carboxylate;tert-butyl 2-[5-[[1-[(3,4-difluorophenyl)methyl]pyrazol-4-yl]carbamoyl]-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]-5-methoxyindole-1-carboxylate is sourced from PubChem (CID 158854069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).