N-[2-[2-[[2-[3-[[1-[2-tert-butyl-5-(methylamino)-4-oxohexanoyl]-4-fluoropyrrolidin-2-yl]methyl]-6-fluoro-1H-indol-2-yl]-5-fluorobenzimidazol-1-yl]methyl]-4-fluoropyrrolidin-1-yl]-1-cyclopropyl-2-oxoethyl]-2-methylbutanamide;N-[2-[2-[[2-[3-[[1-[2-cyclohexyl-5-(methylamino)-4-oxohexanoyl]-4-fluoropyrrolidin-2-yl]methyl]-6-fluoro-1H-indol-2-yl]-5-fluorobenzimidazol-1-yl]methyl]-4-fluoropyrrolidin-1-yl]-1-cyclopropyl-2-oxoethyl]-2-methylbutanamide;N-[1-cyclopropyl-2-[2-[[2-[3-[[1-[2-cyclopropyl-5-(methylamino)-4-oxohexanoyl]-4,4-difluoropyrrolidin-2-yl]methyl]-6-fluoro-1H-indol-2-yl]-5-fluorobenzimidazol-1-yl]methyl]-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]-2-methylbutanamide;N-[1-[2-[[2-[3-[[1-[2-ethyl-5-(methylamino)-4-oxohexanoyl]-4-fluoropyrrolidin-2-yl]methyl]-6-fluoro-1H-indol-2-yl]-5-fluorobenzimidazol-1-yl]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]-1-oxobutan-2-yl]-2-methylbutanamide

C183H229F17N28O16 — CID 160587791

About N-[2-[2-[[2-[3-[[1-[2-tert-butyl-5-(methylamino)-4-oxohexanoyl]-4-fluoropyrrolidin-2-yl]methyl]-6-fluoro-1H-indol-2-yl]-5-fluorobenzimidazol-1-yl]methyl]-4-fluoropyrrolidin-1-yl]-1-cyclopropyl-2-oxoethyl]-2-methylbutanamide;N-[2-[2-[[2-[3-[[1-[2-cyclohexyl-5-(methylamino)-4-oxohexanoyl]-4-fluoropyrrolidin-2-yl]methyl]-6-fluoro-1H-indol-2-yl]-5-fluorobenzimidazol-1-yl]methyl]-4-fluoropyrrolidin-1-yl]-1-cyclopropyl-2-oxoethyl]-2-methylbutanamide;N-[1-cyclopropyl-2-[2-[[2-[3-[[1-[2-cyclopropyl-5-(methylamino)-4-oxohexanoyl]-4,4-difluoropyrrolidin-2-yl]methyl]-6-fluoro-1H-indol-2-yl]-5-fluorobenzimidazol-1-yl]methyl]-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]-2-methylbutanamide;N-[1-[2-[[2-[3-[[1-[2-ethyl-5-(methylamino)-4-oxohexanoyl]-4-fluoropyrrolidin-2-yl]methyl]-6-fluoro-1H-indol-2-yl]-5-fluorobenzimidazol-1-yl]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]-1-oxobutan-2-yl]-2-methylbutanamide

N-[2-[2-[[2-[3-[[1-[2-tert-butyl-5-(methylamino)-4-oxohexanoyl]-4-fluoropyrrolidin-2-yl]methyl]-6-fluoro-1H-indol-2-yl]-5-fluorobenzimidazol-1-yl]methyl]-4-fluoropyrrolidin-1-yl]-1-cyclopropyl-2-oxoethyl]-2-methylbutanamide;N-[2-[2-[[2-[3-[[1-[2-cyclohexyl-5-(methylamino)-4-oxohexanoyl]-4-fluoropyrrolidin-2-yl]methyl]-6-fluoro-1H-indol-2-yl]-5-fluorobenzimidazol-1-yl]methyl]-4-fluoropyrrolidin-1-yl]-1-cyclopropyl-2-oxoethyl]-2-methylbutanamide;N-[1-cyclopropyl-2-[2-[[2-[3-[[1-[2-cyclopropyl-5-(methylamino)-4-oxohexanoyl]-4,4-difluoropyrrolidin-2-yl]methyl]-6-fluoro-1H-indol-2-yl]-5-fluorobenzimidazol-1-yl]methyl]-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]-2-methylbutanamide;N-[1-[2-[[2-[3-[[1-[2-ethyl-5-(methylamino)-4-oxohexanoyl]-4-fluoropyrrolidin-2-yl]methyl]-6-fluoro-1H-indol-2-yl]-5-fluorobenzimidazol-1-yl]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]-1-oxobutan-2-yl]-2-methylbutanamide (PubChem CID 160587791) has the molecular formula C183H229F17N28O16 and a molecular weight of 3399.99 g/mol. Its IUPAC name is N-[2-[2-[[2-[3-[[1-[2-tert-butyl-5-(methylamino)-4-oxohexanoyl]-4-fluoropyrrolidin-2-yl]methyl]-6-fluoro-1H-indol-2-yl]-5-fluorobenzimidazol-1-yl]methyl]-4-fluoropyrrolidin-1-yl]-1-cyclopropyl-2-oxoethyl]-2-methylbutanamide;N-[2-[2-[[2-[3-[[1-[2-cyclohexyl-5-(methylamino)-4-oxohexanoyl]-4-fluoropyrrolidin-2-yl]methyl]-6-fluoro-1H-indol-2-yl]-5-fluorobenzimidazol-1-yl]methyl]-4-fluoropyrrolidin-1-yl]-1-cyclopropyl-2-oxoethyl]-2-methylbutanamide;N-[1-cyclopropyl-2-[2-[[2-[3-[[1-[2-cyclopropyl-5-(methylamino)-4-oxohexanoyl]-4,4-difluoropyrrolidin-2-yl]methyl]-6-fluoro-1H-indol-2-yl]-5-fluorobenzimidazol-1-yl]methyl]-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]-2-methylbutanamide;N-[1-[2-[[2-[3-[[1-[2-ethyl-5-(methylamino)-4-oxohexanoyl]-4-fluoropyrrolidin-2-yl]methyl]-6-fluoro-1H-indol-2-yl]-5-fluorobenzimidazol-1-yl]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]-1-oxobutan-2-yl]-2-methylbutanamide.

Molecular Properties

• Compound Name: N-[2-[2-[[2-[3-[[1-[2-tert-butyl-5-(methylamino)-4-oxohexanoyl]-4-fluoropyrrolidin-2-yl]methyl]-6-fluoro-1H-indol-2-yl]-5-fluorobenzimidazol-1-yl]methyl]-4-fluoropyrrolidin-1-yl]-1-cyclopropyl-2-oxoethyl]-2-methylbutanamide;N-[2-[2-[[2-[3-[[1-[2-cyclohexyl-5-(methylamino)-4-oxohexanoyl]-4-fluoropyrrolidin-2-yl]methyl]-6-fluoro-1H-indol-2-yl]-5-fluorobenzimidazol-1-yl]methyl]-4-fluoropyrrolidin-1-yl]-1-cyclopropyl-2-oxoethyl]-2-methylbutanamide;N-[1-cyclopropyl-2-[2-[[2-[3-[[1-[2-cyclopropyl-5-(methylamino)-4-oxohexanoyl]-4,4-difluoropyrrolidin-2-yl]methyl]-6-fluoro-1H-indol-2-yl]-5-fluorobenzimidazol-1-yl]methyl]-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]-2-methylbutanamide;N-[1-[2-[[2-[3-[[1-[2-ethyl-5-(methylamino)-4-oxohexanoyl]-4-fluoropyrrolidin-2-yl]methyl]-6-fluoro-1H-indol-2-yl]-5-fluorobenzimidazol-1-yl]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]-1-oxobutan-2-yl]-2-methylbutanamide
• PubChem CID: 160587791
• Molecular Formula: C183H229F17N28O16
• Molecular Weight: 3399.99 g/mol
• Exact Mass: 3397.77
• IUPAC Name: N-[2-[2-[[2-[3-[[1-[2-tert-butyl-5-(methylamino)-4-oxohexanoyl]-4-fluoropyrrolidin-2-yl]methyl]-6-fluoro-1H-indol-2-yl]-5-fluorobenzimidazol-1-yl]methyl]-4-fluoropyrrolidin-1-yl]-1-cyclopropyl-2-oxoethyl]-2-methylbutanamide;N-[2-[2-[[2-[3-[[1-[2-cyclohexyl-5-(methylamino)-4-oxohexanoyl]-4-fluoropyrrolidin-2-yl]methyl]-6-fluoro-1H-indol-2-yl]-5-fluorobenzimidazol-1-yl]methyl]-4-fluoropyrrolidin-1-yl]-1-cyclopropyl-2-oxoethyl]-2-methylbutanamide;N-[1-cyclopropyl-2-[2-[[2-[3-[[1-[2-cyclopropyl-5-(methylamino)-4-oxohexanoyl]-4,4-difluoropyrrolidin-2-yl]methyl]-6-fluoro-1H-indol-2-yl]-5-fluorobenzimidazol-1-yl]methyl]-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]-2-methylbutanamide;N-[1-[2-[[2-[3-[[1-[2-ethyl-5-(methylamino)-4-oxohexanoyl]-4-fluoropyrrolidin-2-yl]methyl]-6-fluoro-1H-indol-2-yl]-5-fluorobenzimidazol-1-yl]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]-1-oxobutan-2-yl]-2-methylbutanamide
• SMILES: CCC(C)C(=O)NC(C(=O)N1CC(F)(F)CC1Cn1c(-c2[nH]c3cc(F)ccc3c2CC2CC(F)(F)CN2C(=O)C(CC(=O)C(C)NC)C2CC2)nc2cc(F)ccc21)C1CC1.CCC(C)C(=O)NC(C(=O)N1CC(F)CC1Cn1c(-c2[nH]c3cc(F)ccc3c2CC2CC(F)CN2C(=O)C(CC(=O)C(C)NC)C(C)(C)C)nc2cc(F)ccc21)C1CC1.CCC(C)C(=O)NC(C(=O)N1CC(F)CC1Cn1c(-c2[nH]c3cc(F)ccc3c2CC2CC(F)CN2C(=O)C(CC(=O)C(C)NC)C2CCCCC2)nc2cc(F)ccc21)C1CC1.CCC(C)C(=O)NC(CC)C(=O)N1CC2CC2C1Cn1c(-c2[nH]c3cc(F)ccc3c2CC2CC(F)CN2C(=O)C(CC)CC(=O)C(C)NC)nc2cc(F)ccc21
• InChI: InChI=1S/C48H61F4N7O4.C46H59F4N7O4.C45H53F6N7O4.C44H56F3N7O4/c1-5-26(2)46(61)56-43(29-11-12-29)48(63)58-24-33(52)18-35(58)25-59-41-16-14-31(50)20-40(41)55-45(59)44-38(36-15-13-30(49)19-39(36)54-44)21-34-17-32(51)23-57(34)47(62)37(22-42(60)27(3)53-4)28-9-7-6-8-10-28;1-8-24(2)43(59)54-40(26-9-10-26)45(61)56-22-30(50)16-32(56)23-57-38-14-12-28(48)18-37(38)53-42(57)41-34(33-13-11-27(47)17-36(33)52-41)19-31-15-29(49)21-55(31)44(60)35(46(4,5)6)20-39(58)25(3)51-7;1-5-23(2)41(60)55-38(26-8-9-26)43(62)58-22-45(50,51)19-30(58)20-56-36-13-11-28(47)15-35(36)54-40(56)39-33(31-12-10-27(46)14-34(31)53-39)16-29-18-44(48,49)21-57(29)42(61)32(25-6-7-25)17-37(59)24(3)52-4;1-7-23(4)42(56)51-34(9-3)44(58)54-20-26-14-32(26)38(54)22-53-37-13-11-28(46)18-36(37)50-41(53)40-33(31-12-10-27(45)17-35(31)49-40)19-30-16-29(47)21-52(30)43(57)25(8-2)15-39(55)24(5)48-6/h13-16,19-20,26-29,32-35,37,43,53-54H,5-12,17-18,21-25H2,1-4H3,(H,56,61);11-14,17-18,24-26,29-32,35,40,51-52H,8-10,15-16,19-23H2,1-7H3,(H,54,59);10-15,23-26,29-30,32,38,52-53H,5-9,16-22H2,1-4H3,(H,55,60);10-13,17-18,23-26,29-30,32,34,38,48-49H,7-9,14-16,19-22H2,1-6H3,(H,51,56)
• InChIKey: RCPOJHIBBKOZIV-UHFFFAOYSA-N
• XLogP: 27.98
• TPSA: 529.72 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 28
• Rotatable Bonds: 63
• Heavy Atoms: 244
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3399.99
LogP ≤ 5	27.98
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[[2-[3-[[1-[2-tert-butyl-5-(methylamino)-4-oxohexanoyl]-4-fluoropyrrolidin-2-yl]methyl]-6-fluoro-1H-indol-2-yl]-5-fluorobenzimidazol-1-yl]methyl]-4-fluoropyrrolidin-1-yl]-1-cyclopropyl-2-oxoethyl]-2-methylbutanamide;N-[2-[2-[[2-[3-[[1-[2-cyclohexyl-5-(methylamino)-4-oxohexanoyl]-4-fluoropyrrolidin-2-yl]methyl]-6-fluoro-1H-indol-2-yl]-5-fluorobenzimidazol-1-yl]methyl]-4-fluoropyrrolidin-1-yl]-1-cyclopropyl-2-oxoethyl]-2-methylbutanamide;N-[1-cyclopropyl-2-[2-[[2-[3-[[1-[2-cyclopropyl-5-(methylamino)-4-oxohexanoyl]-4,4-difluoropyrrolidin-2-yl]methyl]-6-fluoro-1H-indol-2-yl]-5-fluorobenzimidazol-1-yl]methyl]-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]-2-methylbutanamide;N-[1-[2-[[2-[3-[[1-[2-ethyl-5-(methylamino)-4-oxohexanoyl]-4-fluoropyrrolidin-2-yl]methyl]-6-fluoro-1H-indol-2-yl]-5-fluorobenzimidazol-1-yl]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]-1-oxobutan-2-yl]-2-methylbutanamide?

The IUPAC name of N-[2-[2-[[2-[3-[[1-[2-tert-butyl-5-(methylamino)-4-oxohexanoyl]-4-fluoropyrrolidin-2-yl]methyl]-6-fluoro-1H-indol-2-yl]-5-fluorobenzimidazol-1-yl]methyl]-4-fluoropyrrolidin-1-yl]-1-cyclopropyl-2-oxoethyl]-2-methylbutanamide;N-[2-[2-[[2-[3-[[1-[2-cyclohexyl-5-(methylamino)-4-oxohexanoyl]-4-fluoropyrrolidin-2-yl]methyl]-6-fluoro-1H-indol-2-yl]-5-fluorobenzimidazol-1-yl]methyl]-4-fluoropyrrolidin-1-yl]-1-cyclopropyl-2-oxoethyl]-2-methylbutanamide;N-[1-cyclopropyl-2-[2-[[2-[3-[[1-[2-cyclopropyl-5-(methylamino)-4-oxohexanoyl]-4,4-difluoropyrrolidin-2-yl]methyl]-6-fluoro-1H-indol-2-yl]-5-fluorobenzimidazol-1-yl]methyl]-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]-2-methylbutanamide;N-[1-[2-[[2-[3-[[1-[2-ethyl-5-(methylamino)-4-oxohexanoyl]-4-fluoropyrrolidin-2-yl]methyl]-6-fluoro-1H-indol-2-yl]-5-fluorobenzimidazol-1-yl]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]-1-oxobutan-2-yl]-2-methylbutanamide (CID 160587791) is N-[2-[2-[[2-[3-[[1-[2-tert-butyl-5-(methylamino)-4-oxohexanoyl]-4-fluoropyrrolidin-2-yl]methyl]-6-fluoro-1H-indol-2-yl]-5-fluorobenzimidazol-1-yl]methyl]-4-fluoropyrrolidin-1-yl]-1-cyclopropyl-2-oxoethyl]-2-methylbutanamide;N-[2-[2-[[2-[3-[[1-[2-cyclohexyl-5-(methylamino)-4-oxohexanoyl]-4-fluoropyrrolidin-2-yl]methyl]-6-fluoro-1H-indol-2-yl]-5-fluorobenzimidazol-1-yl]methyl]-4-fluoropyrrolidin-1-yl]-1-cyclopropyl-2-oxoethyl]-2-methylbutanamide;N-[1-cyclopropyl-2-[2-[[2-[3-[[1-[2-cyclopropyl-5-(methylamino)-4-oxohexanoyl]-4,4-difluoropyrrolidin-2-yl]methyl]-6-fluoro-1H-indol-2-yl]-5-fluorobenzimidazol-1-yl]methyl]-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]-2-methylbutanamide;N-[1-[2-[[2-[3-[[1-[2-ethyl-5-(methylamino)-4-oxohexanoyl]-4-fluoropyrrolidin-2-yl]methyl]-6-fluoro-1H-indol-2-yl]-5-fluorobenzimidazol-1-yl]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]-1-oxobutan-2-yl]-2-methylbutanamide.

What is the SMILES notation for N-[2-[2-[[2-[3-[[1-[2-tert-butyl-5-(methylamino)-4-oxohexanoyl]-4-fluoropyrrolidin-2-yl]methyl]-6-fluoro-1H-indol-2-yl]-5-fluorobenzimidazol-1-yl]methyl]-4-fluoropyrrolidin-1-yl]-1-cyclopropyl-2-oxoethyl]-2-methylbutanamide;N-[2-[2-[[2-[3-[[1-[2-cyclohexyl-5-(methylamino)-4-oxohexanoyl]-4-fluoropyrrolidin-2-yl]methyl]-6-fluoro-1H-indol-2-yl]-5-fluorobenzimidazol-1-yl]methyl]-4-fluoropyrrolidin-1-yl]-1-cyclopropyl-2-oxoethyl]-2-methylbutanamide;N-[1-cyclopropyl-2-[2-[[2-[3-[[1-[2-cyclopropyl-5-(methylamino)-4-oxohexanoyl]-4,4-difluoropyrrolidin-2-yl]methyl]-6-fluoro-1H-indol-2-yl]-5-fluorobenzimidazol-1-yl]methyl]-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]-2-methylbutanamide;N-[1-[2-[[2-[3-[[1-[2-ethyl-5-(methylamino)-4-oxohexanoyl]-4-fluoropyrrolidin-2-yl]methyl]-6-fluoro-1H-indol-2-yl]-5-fluorobenzimidazol-1-yl]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]-1-oxobutan-2-yl]-2-methylbutanamide?

The canonical SMILES for N-[2-[2-[[2-[3-[[1-[2-tert-butyl-5-(methylamino)-4-oxohexanoyl]-4-fluoropyrrolidin-2-yl]methyl]-6-fluoro-1H-indol-2-yl]-5-fluorobenzimidazol-1-yl]methyl]-4-fluoropyrrolidin-1-yl]-1-cyclopropyl-2-oxoethyl]-2-methylbutanamide;N-[2-[2-[[2-[3-[[1-[2-cyclohexyl-5-(methylamino)-4-oxohexanoyl]-4-fluoropyrrolidin-2-yl]methyl]-6-fluoro-1H-indol-2-yl]-5-fluorobenzimidazol-1-yl]methyl]-4-fluoropyrrolidin-1-yl]-1-cyclopropyl-2-oxoethyl]-2-methylbutanamide;N-[1-cyclopropyl-2-[2-[[2-[3-[[1-[2-cyclopropyl-5-(methylamino)-4-oxohexanoyl]-4,4-difluoropyrrolidin-2-yl]methyl]-6-fluoro-1H-indol-2-yl]-5-fluorobenzimidazol-1-yl]methyl]-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]-2-methylbutanamide;N-[1-[2-[[2-[3-[[1-[2-ethyl-5-(methylamino)-4-oxohexanoyl]-4-fluoropyrrolidin-2-yl]methyl]-6-fluoro-1H-indol-2-yl]-5-fluorobenzimidazol-1-yl]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]-1-oxobutan-2-yl]-2-methylbutanamide is CCC(C)C(=O)NC(C(=O)N1CC(F)(F)CC1Cn1c(-c2[nH]c3cc(F)ccc3c2CC2CC(F)(F)CN2C(=O)C(CC(=O)C(C)NC)C2CC2)nc2cc(F)ccc21)C1CC1.CCC(C)C(=O)NC(C(=O)N1CC(F)CC1Cn1c(-c2[nH]c3cc(F)ccc3c2CC2CC(F)CN2C(=O)C(CC(=O)C(C)NC)C(C)(C)C)nc2cc(F)ccc21)C1CC1.CCC(C)C(=O)NC(C(=O)N1CC(F)CC1Cn1c(-c2[nH]c3cc(F)ccc3c2CC2CC(F)CN2C(=O)C(CC(=O)C(C)NC)C2CCCCC2)nc2cc(F)ccc21)C1CC1.CCC(C)C(=O)NC(CC)C(=O)N1CC2CC2C1Cn1c(-c2[nH]c3cc(F)ccc3c2CC2CC(F)CN2C(=O)C(CC)CC(=O)C(C)NC)nc2cc(F)ccc21.

What is the InChIKey of N-[2-[2-[[2-[3-[[1-[2-tert-butyl-5-(methylamino)-4-oxohexanoyl]-4-fluoropyrrolidin-2-yl]methyl]-6-fluoro-1H-indol-2-yl]-5-fluorobenzimidazol-1-yl]methyl]-4-fluoropyrrolidin-1-yl]-1-cyclopropyl-2-oxoethyl]-2-methylbutanamide;N-[2-[2-[[2-[3-[[1-[2-cyclohexyl-5-(methylamino)-4-oxohexanoyl]-4-fluoropyrrolidin-2-yl]methyl]-6-fluoro-1H-indol-2-yl]-5-fluorobenzimidazol-1-yl]methyl]-4-fluoropyrrolidin-1-yl]-1-cyclopropyl-2-oxoethyl]-2-methylbutanamide;N-[1-cyclopropyl-2-[2-[[2-[3-[[1-[2-cyclopropyl-5-(methylamino)-4-oxohexanoyl]-4,4-difluoropyrrolidin-2-yl]methyl]-6-fluoro-1H-indol-2-yl]-5-fluorobenzimidazol-1-yl]methyl]-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]-2-methylbutanamide;N-[1-[2-[[2-[3-[[1-[2-ethyl-5-(methylamino)-4-oxohexanoyl]-4-fluoropyrrolidin-2-yl]methyl]-6-fluoro-1H-indol-2-yl]-5-fluorobenzimidazol-1-yl]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]-1-oxobutan-2-yl]-2-methylbutanamide?

The InChIKey is RCPOJHIBBKOZIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H61F4N7O4.C46H59F4N7O4.C45H53F6N7O4.C44H56F3N7O4/c1-5-26(2)46(61)56-43(29-11-12-29)48(63)58-24-33(52)18-35(58)25-59-41-16-14-31(50)20-40(41)55-45(59)44-38(36-15-13-30(49)19-39(36)54-44)21-34-17-32(51)23-57(34)47(62)37(22-42(60)27(3)53-4)28-9-7-6-8-10-28;1-8-24(2)43(59)54-40(26-9-10-26)45(61)56-22-30(50)16-32(56)23-57-38-14-12-28(48)18-37(38)53-42(57)41-34(33-13-11-27(47)17-36(33)52-41)19-31-15-29(49)21-55(31)44(60)35(46(4,5)6)20-39(58)25(3)51-7;1-5-23(2)41(60)55-38(26-8-9-26)43(62)58-22-45(50,51)19-30(58)20-56-36-13-11-28(47)15-35(36)54-40(56)39-33(31-12-10-27(46)14-34(31)53-39)16-29-18-44(48,49)21-57(29)42(61)32(25-6-7-25)17-37(59)24(3)52-4;1-7-23(4)42(56)51-34(9-3)44(58)54-20-26-14-32(26)38(54)22-53-37-13-11-28(46)18-36(37)50-41(53)40-33(31-12-10-27(45)17-35(31)49-40)19-30-16-29(47)21-52(30)43(57)25(8-2)15-39(55)24(5)48-6/h13-16,19-20,26-29,32-35,37,43,53-54H,5-12,17-18,21-25H2,1-4H3,(H,56,61);11-14,17-18,24-26,29-32,35,40,51-52H,8-10,15-16,19-23H2,1-7H3,(H,54,59);10-15,23-26,29-30,32,38,52-53H,5-9,16-22H2,1-4H3,(H,55,60);10-13,17-18,23-26,29-30,32,34,38,48-49H,7-9,14-16,19-22H2,1-6H3,(H,51,56).

What are the key properties of N-[2-[2-[[2-[3-[[1-[2-tert-butyl-5-(methylamino)-4-oxohexanoyl]-4-fluoropyrrolidin-2-yl]methyl]-6-fluoro-1H-indol-2-yl]-5-fluorobenzimidazol-1-yl]methyl]-4-fluoropyrrolidin-1-yl]-1-cyclopropyl-2-oxoethyl]-2-methylbutanamide;N-[2-[2-[[2-[3-[[1-[2-cyclohexyl-5-(methylamino)-4-oxohexanoyl]-4-fluoropyrrolidin-2-yl]methyl]-6-fluoro-1H-indol-2-yl]-5-fluorobenzimidazol-1-yl]methyl]-4-fluoropyrrolidin-1-yl]-1-cyclopropyl-2-oxoethyl]-2-methylbutanamide;N-[1-cyclopropyl-2-[2-[[2-[3-[[1-[2-cyclopropyl-5-(methylamino)-4-oxohexanoyl]-4,4-difluoropyrrolidin-2-yl]methyl]-6-fluoro-1H-indol-2-yl]-5-fluorobenzimidazol-1-yl]methyl]-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]-2-methylbutanamide;N-[1-[2-[[2-[3-[[1-[2-ethyl-5-(methylamino)-4-oxohexanoyl]-4-fluoropyrrolidin-2-yl]methyl]-6-fluoro-1H-indol-2-yl]-5-fluorobenzimidazol-1-yl]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]-1-oxobutan-2-yl]-2-methylbutanamide?

N-[2-[2-[[2-[3-[[1-[2-tert-butyl-5-(methylamino)-4-oxohexanoyl]-4-fluoropyrrolidin-2-yl]methyl]-6-fluoro-1H-indol-2-yl]-5-fluorobenzimidazol-1-yl]methyl]-4-fluoropyrrolidin-1-yl]-1-cyclopropyl-2-oxoethyl]-2-methylbutanamide;N-[2-[2-[[2-[3-[[1-[2-cyclohexyl-5-(methylamino)-4-oxohexanoyl]-4-fluoropyrrolidin-2-yl]methyl]-6-fluoro-1H-indol-2-yl]-5-fluorobenzimidazol-1-yl]methyl]-4-fluoropyrrolidin-1-yl]-1-cyclopropyl-2-oxoethyl]-2-methylbutanamide;N-[1-cyclopropyl-2-[2-[[2-[3-[[1-[2-cyclopropyl-5-(methylamino)-4-oxohexanoyl]-4,4-difluoropyrrolidin-2-yl]methyl]-6-fluoro-1H-indol-2-yl]-5-fluorobenzimidazol-1-yl]methyl]-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]-2-methylbutanamide;N-[1-[2-[[2-[3-[[1-[2-ethyl-5-(methylamino)-4-oxohexanoyl]-4-fluoropyrrolidin-2-yl]methyl]-6-fluoro-1H-indol-2-yl]-5-fluorobenzimidazol-1-yl]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]-1-oxobutan-2-yl]-2-methylbutanamide has a molecular weight of 3399.99 g/mol, XLogP of 27.98, 63 rotatable bonds, 12 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[2-[[2-[3-[[1-[2-tert-butyl-5-(methylamino)-4-oxohexanoyl]-4-fluoropyrrolidin-2-yl]methyl]-6-fluoro-1H-indol-2-yl]-5-fluorobenzimidazol-1-yl]methyl]-4-fluoropyrrolidin-1-yl]-1-cyclopropyl-2-oxoethyl]-2-methylbutanamide;N-[2-[2-[[2-[3-[[1-[2-cyclohexyl-5-(methylamino)-4-oxohexanoyl]-4-fluoropyrrolidin-2-yl]methyl]-6-fluoro-1H-indol-2-yl]-5-fluorobenzimidazol-1-yl]methyl]-4-fluoropyrrolidin-1-yl]-1-cyclopropyl-2-oxoethyl]-2-methylbutanamide;N-[1-cyclopropyl-2-[2-[[2-[3-[[1-[2-cyclopropyl-5-(methylamino)-4-oxohexanoyl]-4,4-difluoropyrrolidin-2-yl]methyl]-6-fluoro-1H-indol-2-yl]-5-fluorobenzimidazol-1-yl]methyl]-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]-2-methylbutanamide;N-[1-[2-[[2-[3-[[1-[2-ethyl-5-(methylamino)-4-oxohexanoyl]-4-fluoropyrrolidin-2-yl]methyl]-6-fluoro-1H-indol-2-yl]-5-fluorobenzimidazol-1-yl]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]-1-oxobutan-2-yl]-2-methylbutanamide is sourced from PubChem (CID 160587791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).