[3-acetyl-1-[2-[(2S,4R)-2-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]indol-6-yl] trifluoromethanesulfonate;(2S,4R)-1-[2-(3-acetyl-6-diethoxyphosphorylindol-1-yl)acetyl]-N-[(3-chloro-2-fluorophenyl)methyl]-4-fluoropyrrolidine-2-carboxamide;(2S,4R)-1-[2-(3-acetyl-6-hydroxyindol-1-yl)acetyl]-N-[(3-chloro-2-fluorophenyl)methyl]-4-fluoropyrrolidine-2-carboxamide;diethoxy(oxo)phosphanium;trifluoromethylsulfonyl trifluoromethanesulfonate

C83H84Cl3F15N9O24P2S3+ — CID 158019652

About [3-acetyl-1-[2-[(2S,4R)-2-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]indol-6-yl] trifluoromethanesulfonate;(2S,4R)-1-[2-(3-acetyl-6-diethoxyphosphorylindol-1-yl)acetyl]-N-[(3-chloro-2-fluorophenyl)methyl]-4-fluoropyrrolidine-2-carboxamide;(2S,4R)-1-[2-(3-acetyl-6-hydroxyindol-1-yl)acetyl]-N-[(3-chloro-2-fluorophenyl)methyl]-4-fluoropyrrolidine-2-carboxamide;diethoxy(oxo)phosphanium;trifluoromethylsulfonyl trifluoromethanesulfonate

[3-acetyl-1-[2-[(2S,4R)-2-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]indol-6-yl] trifluoromethanesulfonate;(2S,4R)-1-[2-(3-acetyl-6-diethoxyphosphorylindol-1-yl)acetyl]-N-[(3-chloro-2-fluorophenyl)methyl]-4-fluoropyrrolidine-2-carboxamide;(2S,4R)-1-[2-(3-acetyl-6-hydroxyindol-1-yl)acetyl]-N-[(3-chloro-2-fluorophenyl)methyl]-4-fluoropyrrolidine-2-carboxamide;diethoxy(oxo)phosphanium;trifluoromethylsulfonyl trifluoromethanesulfonate (PubChem CID 158019652) has the molecular formula C83H84Cl3F15N9O24P2S3+ and a molecular weight of 2141.10 g/mol. Its IUPAC name is [3-acetyl-1-[2-[(2S,4R)-2-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]indol-6-yl] trifluoromethanesulfonate;(2S,4R)-1-[2-(3-acetyl-6-diethoxyphosphorylindol-1-yl)acetyl]-N-[(3-chloro-2-fluorophenyl)methyl]-4-fluoropyrrolidine-2-carboxamide;(2S,4R)-1-[2-(3-acetyl-6-hydroxyindol-1-yl)acetyl]-N-[(3-chloro-2-fluorophenyl)methyl]-4-fluoropyrrolidine-2-carboxamide;diethoxy(oxo)phosphanium;trifluoromethylsulfonyl trifluoromethanesulfonate.

Molecular Properties

• Compound Name: [3-acetyl-1-[2-[(2S,4R)-2-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]indol-6-yl] trifluoromethanesulfonate;(2S,4R)-1-[2-(3-acetyl-6-diethoxyphosphorylindol-1-yl)acetyl]-N-[(3-chloro-2-fluorophenyl)methyl]-4-fluoropyrrolidine-2-carboxamide;(2S,4R)-1-[2-(3-acetyl-6-hydroxyindol-1-yl)acetyl]-N-[(3-chloro-2-fluorophenyl)methyl]-4-fluoropyrrolidine-2-carboxamide;diethoxy(oxo)phosphanium;trifluoromethylsulfonyl trifluoromethanesulfonate
• PubChem CID: 158019652
• Molecular Formula: C83H84Cl3F15N9O24P2S3+
• Molecular Weight: 2141.10 g/mol
• Exact Mass: 2138.31
• IUPAC Name: [3-acetyl-1-[2-[(2S,4R)-2-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]indol-6-yl] trifluoromethanesulfonate;(2S,4R)-1-[2-(3-acetyl-6-diethoxyphosphorylindol-1-yl)acetyl]-N-[(3-chloro-2-fluorophenyl)methyl]-4-fluoropyrrolidine-2-carboxamide;(2S,4R)-1-[2-(3-acetyl-6-hydroxyindol-1-yl)acetyl]-N-[(3-chloro-2-fluorophenyl)methyl]-4-fluoropyrrolidine-2-carboxamide;diethoxy(oxo)phosphanium;trifluoromethylsulfonyl trifluoromethanesulfonate
• SMILES: CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2cc(O)ccc12.CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2cc(OS(=O)(=O)C(F)(F)F)ccc12.CCOP(=O)(OCC)c1ccc2c(C(C)=O)cn(CC(=O)N3C[C@H](F)C[C@H]3C(=O)NCc3cccc(Cl)c3F)c2c1.CCO[P+](=O)OCC.O=S(=O)(OS(=O)(=O)C(F)(F)F)C(F)(F)F
• InChI: InChI=1S/C28H31ClF2N3O6P.C25H21ClF5N3O6S.C24H22ClF2N3O4.C4H10O3P.C2F6O5S2/c1-4-39-41(38,40-5-2)20-9-10-21-22(17(3)35)15-33(24(21)12-20)16-26(36)34-14-19(30)11-25(34)28(37)32-13-18-7-6-8-23(29)27(18)31;1-13(35)18-11-33(20-8-16(5-6-17(18)20)40-41(38,39)25(29,30)31)12-22(36)34-10-15(27)7-21(34)24(37)32-9-14-3-2-4-19(26)23(14)28;1-13(31)18-11-29(20-8-16(32)5-6-17(18)20)12-22(33)30-10-15(26)7-21(30)24(34)28-9-14-3-2-4-19(25)23(14)27;1-3-6-8(5)7-4-2;3-1(4,5)14(9,10)13-15(11,12)2(6,7)8/h6-10,12,15,19,25H,4-5,11,13-14,16H2,1-3H3,(H,32,37);2-6,8,11,15,21H,7,9-10,12H2,1H3,(H,32,37);2-6,8,11,15,21,32H,7,9-10,12H2,1H3,(H,28,34);3-4H2,1-2H3;/q;;;+1;/t19-,25+;2*15-,21+;;/m111../s1
• InChIKey: YQGFDBBRTUDXRJ-INANOUMZSA-N
• XLogP: 14.92
• TPSA: 426.40 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 27
• Rotatable Bonds: 31
• Heavy Atoms: 139
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2141.10
LogP ≤ 5	14.92
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [3-acetyl-1-[2-[(2S,4R)-2-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]indol-6-yl] trifluoromethanesulfonate;(2S,4R)-1-[2-(3-acetyl-6-diethoxyphosphorylindol-1-yl)acetyl]-N-[(3-chloro-2-fluorophenyl)methyl]-4-fluoropyrrolidine-2-carboxamide;(2S,4R)-1-[2-(3-acetyl-6-hydroxyindol-1-yl)acetyl]-N-[(3-chloro-2-fluorophenyl)methyl]-4-fluoropyrrolidine-2-carboxamide;diethoxy(oxo)phosphanium;trifluoromethylsulfonyl trifluoromethanesulfonate?

The IUPAC name of [3-acetyl-1-[2-[(2S,4R)-2-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]indol-6-yl] trifluoromethanesulfonate;(2S,4R)-1-[2-(3-acetyl-6-diethoxyphosphorylindol-1-yl)acetyl]-N-[(3-chloro-2-fluorophenyl)methyl]-4-fluoropyrrolidine-2-carboxamide;(2S,4R)-1-[2-(3-acetyl-6-hydroxyindol-1-yl)acetyl]-N-[(3-chloro-2-fluorophenyl)methyl]-4-fluoropyrrolidine-2-carboxamide;diethoxy(oxo)phosphanium;trifluoromethylsulfonyl trifluoromethanesulfonate (CID 158019652) is [3-acetyl-1-[2-[(2S,4R)-2-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]indol-6-yl] trifluoromethanesulfonate;(2S,4R)-1-[2-(3-acetyl-6-diethoxyphosphorylindol-1-yl)acetyl]-N-[(3-chloro-2-fluorophenyl)methyl]-4-fluoropyrrolidine-2-carboxamide;(2S,4R)-1-[2-(3-acetyl-6-hydroxyindol-1-yl)acetyl]-N-[(3-chloro-2-fluorophenyl)methyl]-4-fluoropyrrolidine-2-carboxamide;diethoxy(oxo)phosphanium;trifluoromethylsulfonyl trifluoromethanesulfonate.

What is the SMILES notation for [3-acetyl-1-[2-[(2S,4R)-2-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]indol-6-yl] trifluoromethanesulfonate;(2S,4R)-1-[2-(3-acetyl-6-diethoxyphosphorylindol-1-yl)acetyl]-N-[(3-chloro-2-fluorophenyl)methyl]-4-fluoropyrrolidine-2-carboxamide;(2S,4R)-1-[2-(3-acetyl-6-hydroxyindol-1-yl)acetyl]-N-[(3-chloro-2-fluorophenyl)methyl]-4-fluoropyrrolidine-2-carboxamide;diethoxy(oxo)phosphanium;trifluoromethylsulfonyl trifluoromethanesulfonate?

The canonical SMILES for [3-acetyl-1-[2-[(2S,4R)-2-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]indol-6-yl] trifluoromethanesulfonate;(2S,4R)-1-[2-(3-acetyl-6-diethoxyphosphorylindol-1-yl)acetyl]-N-[(3-chloro-2-fluorophenyl)methyl]-4-fluoropyrrolidine-2-carboxamide;(2S,4R)-1-[2-(3-acetyl-6-hydroxyindol-1-yl)acetyl]-N-[(3-chloro-2-fluorophenyl)methyl]-4-fluoropyrrolidine-2-carboxamide;diethoxy(oxo)phosphanium;trifluoromethylsulfonyl trifluoromethanesulfonate is CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2cc(O)ccc12.CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2cc(OS(=O)(=O)C(F)(F)F)ccc12.CCOP(=O)(OCC)c1ccc2c(C(C)=O)cn(CC(=O)N3C[C@H](F)C[C@H]3C(=O)NCc3cccc(Cl)c3F)c2c1.CCO[P+](=O)OCC.O=S(=O)(OS(=O)(=O)C(F)(F)F)C(F)(F)F.

What is the InChIKey of [3-acetyl-1-[2-[(2S,4R)-2-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]indol-6-yl] trifluoromethanesulfonate;(2S,4R)-1-[2-(3-acetyl-6-diethoxyphosphorylindol-1-yl)acetyl]-N-[(3-chloro-2-fluorophenyl)methyl]-4-fluoropyrrolidine-2-carboxamide;(2S,4R)-1-[2-(3-acetyl-6-hydroxyindol-1-yl)acetyl]-N-[(3-chloro-2-fluorophenyl)methyl]-4-fluoropyrrolidine-2-carboxamide;diethoxy(oxo)phosphanium;trifluoromethylsulfonyl trifluoromethanesulfonate?

The InChIKey is YQGFDBBRTUDXRJ-INANOUMZSA-N. The full InChI is InChI=1S/C28H31ClF2N3O6P.C25H21ClF5N3O6S.C24H22ClF2N3O4.C4H10O3P.C2F6O5S2/c1-4-39-41(38,40-5-2)20-9-10-21-22(17(3)35)15-33(24(21)12-20)16-26(36)34-14-19(30)11-25(34)28(37)32-13-18-7-6-8-23(29)27(18)31;1-13(35)18-11-33(20-8-16(5-6-17(18)20)40-41(38,39)25(29,30)31)12-22(36)34-10-15(27)7-21(34)24(37)32-9-14-3-2-4-19(26)23(14)28;1-13(31)18-11-29(20-8-16(32)5-6-17(18)20)12-22(33)30-10-15(26)7-21(30)24(34)28-9-14-3-2-4-19(25)23(14)27;1-3-6-8(5)7-4-2;3-1(4,5)14(9,10)13-15(11,12)2(6,7)8/h6-10,12,15,19,25H,4-5,11,13-14,16H2,1-3H3,(H,32,37);2-6,8,11,15,21H,7,9-10,12H2,1H3,(H,32,37);2-6,8,11,15,21,32H,7,9-10,12H2,1H3,(H,28,34);3-4H2,1-2H3;/q;;;+1;/t19-,25+;2*15-,21+;;/m111../s1.

What are the key properties of [3-acetyl-1-[2-[(2S,4R)-2-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]indol-6-yl] trifluoromethanesulfonate;(2S,4R)-1-[2-(3-acetyl-6-diethoxyphosphorylindol-1-yl)acetyl]-N-[(3-chloro-2-fluorophenyl)methyl]-4-fluoropyrrolidine-2-carboxamide;(2S,4R)-1-[2-(3-acetyl-6-hydroxyindol-1-yl)acetyl]-N-[(3-chloro-2-fluorophenyl)methyl]-4-fluoropyrrolidine-2-carboxamide;diethoxy(oxo)phosphanium;trifluoromethylsulfonyl trifluoromethanesulfonate?

[3-acetyl-1-[2-[(2S,4R)-2-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]indol-6-yl] trifluoromethanesulfonate;(2S,4R)-1-[2-(3-acetyl-6-diethoxyphosphorylindol-1-yl)acetyl]-N-[(3-chloro-2-fluorophenyl)methyl]-4-fluoropyrrolidine-2-carboxamide;(2S,4R)-1-[2-(3-acetyl-6-hydroxyindol-1-yl)acetyl]-N-[(3-chloro-2-fluorophenyl)methyl]-4-fluoropyrrolidine-2-carboxamide;diethoxy(oxo)phosphanium;trifluoromethylsulfonyl trifluoromethanesulfonate has a molecular weight of 2141.10 g/mol, XLogP of 14.92, 31 rotatable bonds, 4 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for [3-acetyl-1-[2-[(2S,4R)-2-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]indol-6-yl] trifluoromethanesulfonate;(2S,4R)-1-[2-(3-acetyl-6-diethoxyphosphorylindol-1-yl)acetyl]-N-[(3-chloro-2-fluorophenyl)methyl]-4-fluoropyrrolidine-2-carboxamide;(2S,4R)-1-[2-(3-acetyl-6-hydroxyindol-1-yl)acetyl]-N-[(3-chloro-2-fluorophenyl)methyl]-4-fluoropyrrolidine-2-carboxamide;diethoxy(oxo)phosphanium;trifluoromethylsulfonyl trifluoromethanesulfonate is sourced from PubChem (CID 158019652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).