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;N-[1-[(3,4-difluorophenyl)methyl]pyrazol-4-yl]-5-[5-[(4-fluoropiperidin-1-yl)methyl]-1H-inden-2-yl]-4-oxocyclohexa-1,5-diene-1-carboxamide

C109H119F8N15O13Si2 — CID 158068333

About 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;N-[1-[(3,4-difluorophenyl)methyl]pyrazol-4-yl]-5-[5-[(4-fluoropiperidin-1-yl)methyl]-1H-inden-2-yl]-4-oxocyclohexa-1,5-diene-1-carboxamide

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;N-[1-[(3,4-difluorophenyl)methyl]pyrazol-4-yl]-5-[5-[(4-fluoropiperidin-1-yl)methyl]-1H-inden-2-yl]-4-oxocyclohexa-1,5-diene-1-carboxamide (PubChem CID 158068333) has the molecular formula C109H119F8N15O13Si2 and a molecular weight of 2055.40 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-[(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;N-[1-[(3,4-difluorophenyl)methyl]pyrazol-4-yl]-5-[5-[(4-fluoropiperidin-1-yl)methyl]-1H-inden-2-yl]-4-oxocyclohexa-1,5-diene-1-carboxamide.

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-[(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;N-[1-[(3,4-difluorophenyl)methyl]pyrazol-4-yl]-5-[5-[(4-fluoropiperidin-1-yl)methyl]-1H-inden-2-yl]-4-oxocyclohexa-1,5-diene-1-carboxamide
• PubChem CID: 158068333
• Molecular Formula: C109H119F8N15O13Si2
• Molecular Weight: 2055.40 g/mol
• Exact Mass: 2053.85
• IUPAC Name: 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;N-[1-[(3,4-difluorophenyl)methyl]pyrazol-4-yl]-5-[5-[(4-fluoropiperidin-1-yl)methyl]-1H-inden-2-yl]-4-oxocyclohexa-1,5-diene-1-carboxamide
• 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.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.O=C1CC=C(C(=O)Nc2cnn(Cc3ccc(F)c(F)c3)c2)C=C1C1=Cc2cc(CN3CCC(F)CC3)ccc2C1
• InChI: InChI=1S/C41H49F3N6O5Si.C36H41F2N5O6Si.C32H29F3N4O2/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;1-36(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;33-26-7-9-38(10-8-26)17-20-1-3-22-13-25(14-24(22)11-20)28-15-23(4-6-31(28)40)32(41)37-27-16-36-39(19-27)18-21-2-5-29(34)30(35)12-21/h7-10,17-21,24-25,31H,11-16,22-23,26H2,1-6H3,(H,46,51);8-11,14-18,20-21H,12-13,19,22H2,1-7H3,(H,40,44);1-5,11-12,14-16,19,26H,6-10,13,17-18H2,(H,37,41)
• InChIKey: FLMWOJPZWHCNBS-UHFFFAOYSA-N
• XLogP: 21.17
• TPSA: 298.46 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 25
• Rotatable Bonds: 30
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2055.40
LogP ≤ 5	21.17
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'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-[(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;N-[1-[(3,4-difluorophenyl)methyl]pyrazol-4-yl]-5-[5-[(4-fluoropiperidin-1-yl)methyl]-1H-inden-2-yl]-4-oxocyclohexa-1,5-diene-1-carboxamide?

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-[(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;N-[1-[(3,4-difluorophenyl)methyl]pyrazol-4-yl]-5-[5-[(4-fluoropiperidin-1-yl)methyl]-1H-inden-2-yl]-4-oxocyclohexa-1,5-diene-1-carboxamide (CID 158068333) is 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;N-[1-[(3,4-difluorophenyl)methyl]pyrazol-4-yl]-5-[5-[(4-fluoropiperidin-1-yl)methyl]-1H-inden-2-yl]-4-oxocyclohexa-1,5-diene-1-carboxamide.

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-[(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;N-[1-[(3,4-difluorophenyl)methyl]pyrazol-4-yl]-5-[5-[(4-fluoropiperidin-1-yl)methyl]-1H-inden-2-yl]-4-oxocyclohexa-1,5-diene-1-carboxamide?

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-[(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;N-[1-[(3,4-difluorophenyl)methyl]pyrazol-4-yl]-5-[5-[(4-fluoropiperidin-1-yl)methyl]-1H-inden-2-yl]-4-oxocyclohexa-1,5-diene-1-carboxamide 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.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.O=C1CC=C(C(=O)Nc2cnn(Cc3ccc(F)c(F)c3)c2)C=C1C1=Cc2cc(CN3CCC(F)CC3)ccc2C1.

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-[(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;N-[1-[(3,4-difluorophenyl)methyl]pyrazol-4-yl]-5-[5-[(4-fluoropiperidin-1-yl)methyl]-1H-inden-2-yl]-4-oxocyclohexa-1,5-diene-1-carboxamide?

The InChIKey is FLMWOJPZWHCNBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H49F3N6O5Si.C36H41F2N5O6Si.C32H29F3N4O2/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;1-36(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;33-26-7-9-38(10-8-26)17-20-1-3-22-13-25(14-24(22)11-20)28-15-23(4-6-31(28)40)32(41)37-27-16-36-39(19-27)18-21-2-5-29(34)30(35)12-21/h7-10,17-21,24-25,31H,11-16,22-23,26H2,1-6H3,(H,46,51);8-11,14-18,20-21H,12-13,19,22H2,1-7H3,(H,40,44);1-5,11-12,14-16,19,26H,6-10,13,17-18H2,(H,37,41).

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-[(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;N-[1-[(3,4-difluorophenyl)methyl]pyrazol-4-yl]-5-[5-[(4-fluoropiperidin-1-yl)methyl]-1H-inden-2-yl]-4-oxocyclohexa-1,5-diene-1-carboxamide?

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;N-[1-[(3,4-difluorophenyl)methyl]pyrazol-4-yl]-5-[5-[(4-fluoropiperidin-1-yl)methyl]-1H-inden-2-yl]-4-oxocyclohexa-1,5-diene-1-carboxamide has a molecular weight of 2055.40 g/mol, XLogP of 21.17, 30 rotatable bonds, 3 hydrogen bond donors, and 25 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-[(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;N-[1-[(3,4-difluorophenyl)methyl]pyrazol-4-yl]-5-[5-[(4-fluoropiperidin-1-yl)methyl]-1H-inden-2-yl]-4-oxocyclohexa-1,5-diene-1-carboxamide is sourced from PubChem (CID 158068333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).