(4R)-4-[3-(2H-benzimidazol-5-yl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(5-fluoro-1H-indol-3-yl)pentan-2-one;2-[9-(difluoromethyl)-5,5-difluoro-8-aza-7-azoniatricyclo[4.3.0.02,4]nona-1(6),7-dien-7-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)-2-pyridinyl]ethyl]acetamide;5-[2-[1-(3,5-difluorophenyl)-5-(5-fluoro-1-methylsulfonylindol-3-yl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(4-methylphenyl)pyrazin-2-yl]pentan-2-one;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(1-methylpyrazol-4-yl)-2-pyridinyl]ethyl]acetamide

C154H128F17N20O9S+ — CID 158781406

About (4R)-4-[3-(2H-benzimidazol-5-yl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(5-fluoro-1H-indol-3-yl)pentan-2-one;2-[9-(difluoromethyl)-5,5-difluoro-8-aza-7-azoniatricyclo[4.3.0.02,4]nona-1(6),7-dien-7-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)-2-pyridinyl]ethyl]acetamide;5-[2-[1-(3,5-difluorophenyl)-5-(5-fluoro-1-methylsulfonylindol-3-yl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(4-methylphenyl)pyrazin-2-yl]pentan-2-one;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(1-methylpyrazol-4-yl)-2-pyridinyl]ethyl]acetamide

(4R)-4-[3-(2H-benzimidazol-5-yl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(5-fluoro-1H-indol-3-yl)pentan-2-one;2-[9-(difluoromethyl)-5,5-difluoro-8-aza-7-azoniatricyclo[4.3.0.02,4]nona-1(6),7-dien-7-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)-2-pyridinyl]ethyl]acetamide;5-[2-[1-(3,5-difluorophenyl)-5-(5-fluoro-1-methylsulfonylindol-3-yl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(4-methylphenyl)pyrazin-2-yl]pentan-2-one;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(1-methylpyrazol-4-yl)-2-pyridinyl]ethyl]acetamide (PubChem CID 158781406) has the molecular formula C154H128F17N20O9S+ and a molecular weight of 2757.88 g/mol. Its IUPAC name is (4R)-4-[3-(2H-benzimidazol-5-yl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(5-fluoro-1H-indol-3-yl)pentan-2-one;2-[9-(difluoromethyl)-5,5-difluoro-8-aza-7-azoniatricyclo[4.3.0.02,4]nona-1(6),7-dien-7-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)-2-pyridinyl]ethyl]acetamide;5-[2-[1-(3,5-difluorophenyl)-5-(5-fluoro-1-methylsulfonylindol-3-yl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(4-methylphenyl)pyrazin-2-yl]pentan-2-one;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(1-methylpyrazol-4-yl)-2-pyridinyl]ethyl]acetamide.

Molecular Properties

• Compound Name: (4R)-4-[3-(2H-benzimidazol-5-yl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(5-fluoro-1H-indol-3-yl)pentan-2-one;2-[9-(difluoromethyl)-5,5-difluoro-8-aza-7-azoniatricyclo[4.3.0.02,4]nona-1(6),7-dien-7-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)-2-pyridinyl]ethyl]acetamide;5-[2-[1-(3,5-difluorophenyl)-5-(5-fluoro-1-methylsulfonylindol-3-yl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(4-methylphenyl)pyrazin-2-yl]pentan-2-one;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(1-methylpyrazol-4-yl)-2-pyridinyl]ethyl]acetamide
• PubChem CID: 158781406
• Molecular Formula: C154H128F17N20O9S+
• Molecular Weight: 2757.88 g/mol
• Exact Mass: 2755.96
• IUPAC Name: (4R)-4-[3-(2H-benzimidazol-5-yl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(5-fluoro-1H-indol-3-yl)pentan-2-one;2-[9-(difluoromethyl)-5,5-difluoro-8-aza-7-azoniatricyclo[4.3.0.02,4]nona-1(6),7-dien-7-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)-2-pyridinyl]ethyl]acetamide;5-[2-[1-(3,5-difluorophenyl)-5-(5-fluoro-1-methylsulfonylindol-3-yl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(4-methylphenyl)pyrazin-2-yl]pentan-2-one;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(1-methylpyrazol-4-yl)-2-pyridinyl]ethyl]acetamide
• SMILES: CNC(=O)c1cc(-c2cccnc2C(CC(=O)Cc2cn(S(C)(=O)=O)c3ccc(F)cc23)Cc2cc(F)cc(F)c2)ccc1F.Cc1cc(F)cc(C[C@H](NC(=O)Cc2c[nH]c3ccc(F)cc23)c2ncccc2-c2cnn(C)c2)c1.Cc1ccc(-c2nccnc2C(CC(=O)CC2=CCc3ccc(O)cc32)Cc2cc(F)cc(F)c2)cc1.O=C(C[N+]1=NC(C(F)F)C2=C1C(F)(F)C1CC21)N[C@@H](Cc1cc(F)cc(F)c1)c1ncccc1-c1cnc2c(c1)CCCN2.O=C(Cc1c[nH]c2ccc(F)cc12)C[C@@H](Cc1cc(F)cc(F)c1)c1ncccc1-c1ccc2c(c1)=NCN=2
• InChI: InChI=1S/C33H27F4N3O4S.C31H26F6N6O.C31H23F3N4O.C31H26F2N2O2.C28H25F2N5O/c1-38-33(42)29-15-20(5-7-30(29)37)27-4-3-9-39-32(27)21(10-19-11-24(35)16-25(36)12-19)13-26(41)14-22-18-40(45(2,43)44)31-8-6-23(34)17-28(22)31;32-18-7-15(8-19(33)11-18)9-23(26-20(4-2-5-38-26)17-10-16-3-1-6-39-30(16)40-13-17)41-24(44)14-43-28-25(27(42-43)29(34)35)21-12-22(21)31(28,36)37;32-22-4-6-28-27(15-22)21(16-36-28)12-25(39)11-20(8-18-9-23(33)14-24(34)10-18)31-26(2-1-7-35-31)19-3-5-29-30(13-19)38-17-37-29;1-19-2-4-22(5-3-19)30-31(35-11-10-34-30)24(12-20-13-25(32)17-26(33)14-20)16-28(37)15-23-7-6-21-8-9-27(36)18-29(21)23;1-17-8-18(10-22(30)9-17)11-26(28-23(4-3-7-31-28)20-15-33-35(2)16-20)34-27(36)12-19-14-32-25-6-5-21(29)13-24(19)25/h3-9,11-12,15-18,21H,10,13-14H2,1-2H3,(H,38,42);2,4-5,7-8,10-11,13,21-23,27,29H,1,3,6,9,12,14H2,(H-,39,40,41,44);1-7,9-10,13-16,20,36H,8,11-12,17H2;2-5,7-11,13-14,17-18,24,36H,6,12,15-16H2,1H3;3-10,13-16,26,32H,11-12H2,1-2H3,(H,34,36)/p+1/t;21?,22?,23-,27?;20-;;26-/m.01.0/s1
• InChIKey: NRQJTZGFDNILSW-DGPBSILBSA-O
• XLogP: 29.12
• TPSA: 389.56 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 23
• Rotatable Bonds: 41
• Heavy Atoms: 201
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2757.88
LogP ≤ 5	29.12
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[3-(2H-benzimidazol-5-yl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(5-fluoro-1H-indol-3-yl)pentan-2-one;2-[9-(difluoromethyl)-5,5-difluoro-8-aza-7-azoniatricyclo[4.3.0.02,4]nona-1(6),7-dien-7-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)-2-pyridinyl]ethyl]acetamide;5-[2-[1-(3,5-difluorophenyl)-5-(5-fluoro-1-methylsulfonylindol-3-yl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(4-methylphenyl)pyrazin-2-yl]pentan-2-one;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(1-methylpyrazol-4-yl)-2-pyridinyl]ethyl]acetamide?

The IUPAC name of (4R)-4-[3-(2H-benzimidazol-5-yl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(5-fluoro-1H-indol-3-yl)pentan-2-one;2-[9-(difluoromethyl)-5,5-difluoro-8-aza-7-azoniatricyclo[4.3.0.02,4]nona-1(6),7-dien-7-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)-2-pyridinyl]ethyl]acetamide;5-[2-[1-(3,5-difluorophenyl)-5-(5-fluoro-1-methylsulfonylindol-3-yl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(4-methylphenyl)pyrazin-2-yl]pentan-2-one;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(1-methylpyrazol-4-yl)-2-pyridinyl]ethyl]acetamide (CID 158781406) is (4R)-4-[3-(2H-benzimidazol-5-yl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(5-fluoro-1H-indol-3-yl)pentan-2-one;2-[9-(difluoromethyl)-5,5-difluoro-8-aza-7-azoniatricyclo[4.3.0.02,4]nona-1(6),7-dien-7-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)-2-pyridinyl]ethyl]acetamide;5-[2-[1-(3,5-difluorophenyl)-5-(5-fluoro-1-methylsulfonylindol-3-yl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(4-methylphenyl)pyrazin-2-yl]pentan-2-one;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(1-methylpyrazol-4-yl)-2-pyridinyl]ethyl]acetamide.

What is the SMILES notation for (4R)-4-[3-(2H-benzimidazol-5-yl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(5-fluoro-1H-indol-3-yl)pentan-2-one;2-[9-(difluoromethyl)-5,5-difluoro-8-aza-7-azoniatricyclo[4.3.0.02,4]nona-1(6),7-dien-7-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)-2-pyridinyl]ethyl]acetamide;5-[2-[1-(3,5-difluorophenyl)-5-(5-fluoro-1-methylsulfonylindol-3-yl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(4-methylphenyl)pyrazin-2-yl]pentan-2-one;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(1-methylpyrazol-4-yl)-2-pyridinyl]ethyl]acetamide?

The canonical SMILES for (4R)-4-[3-(2H-benzimidazol-5-yl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(5-fluoro-1H-indol-3-yl)pentan-2-one;2-[9-(difluoromethyl)-5,5-difluoro-8-aza-7-azoniatricyclo[4.3.0.02,4]nona-1(6),7-dien-7-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)-2-pyridinyl]ethyl]acetamide;5-[2-[1-(3,5-difluorophenyl)-5-(5-fluoro-1-methylsulfonylindol-3-yl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(4-methylphenyl)pyrazin-2-yl]pentan-2-one;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(1-methylpyrazol-4-yl)-2-pyridinyl]ethyl]acetamide is CNC(=O)c1cc(-c2cccnc2C(CC(=O)Cc2cn(S(C)(=O)=O)c3ccc(F)cc23)Cc2cc(F)cc(F)c2)ccc1F.Cc1cc(F)cc(C[C@H](NC(=O)Cc2c[nH]c3ccc(F)cc23)c2ncccc2-c2cnn(C)c2)c1.Cc1ccc(-c2nccnc2C(CC(=O)CC2=CCc3ccc(O)cc32)Cc2cc(F)cc(F)c2)cc1.O=C(C[N+]1=NC(C(F)F)C2=C1C(F)(F)C1CC21)N[C@@H](Cc1cc(F)cc(F)c1)c1ncccc1-c1cnc2c(c1)CCCN2.O=C(Cc1c[nH]c2ccc(F)cc12)C[C@@H](Cc1cc(F)cc(F)c1)c1ncccc1-c1ccc2c(c1)=NCN=2.

What is the InChIKey of (4R)-4-[3-(2H-benzimidazol-5-yl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(5-fluoro-1H-indol-3-yl)pentan-2-one;2-[9-(difluoromethyl)-5,5-difluoro-8-aza-7-azoniatricyclo[4.3.0.02,4]nona-1(6),7-dien-7-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)-2-pyridinyl]ethyl]acetamide;5-[2-[1-(3,5-difluorophenyl)-5-(5-fluoro-1-methylsulfonylindol-3-yl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(4-methylphenyl)pyrazin-2-yl]pentan-2-one;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(1-methylpyrazol-4-yl)-2-pyridinyl]ethyl]acetamide?

The InChIKey is NRQJTZGFDNILSW-DGPBSILBSA-O. The full InChI is InChI=1S/C33H27F4N3O4S.C31H26F6N6O.C31H23F3N4O.C31H26F2N2O2.C28H25F2N5O/c1-38-33(42)29-15-20(5-7-30(29)37)27-4-3-9-39-32(27)21(10-19-11-24(35)16-25(36)12-19)13-26(41)14-22-18-40(45(2,43)44)31-8-6-23(34)17-28(22)31;32-18-7-15(8-19(33)11-18)9-23(26-20(4-2-5-38-26)17-10-16-3-1-6-39-30(16)40-13-17)41-24(44)14-43-28-25(27(42-43)29(34)35)21-12-22(21)31(28,36)37;32-22-4-6-28-27(15-22)21(16-36-28)12-25(39)11-20(8-18-9-23(33)14-24(34)10-18)31-26(2-1-7-35-31)19-3-5-29-30(13-19)38-17-37-29;1-19-2-4-22(5-3-19)30-31(35-11-10-34-30)24(12-20-13-25(32)17-26(33)14-20)16-28(37)15-23-7-6-21-8-9-27(36)18-29(21)23;1-17-8-18(10-22(30)9-17)11-26(28-23(4-3-7-31-28)20-15-33-35(2)16-20)34-27(36)12-19-14-32-25-6-5-21(29)13-24(19)25/h3-9,11-12,15-18,21H,10,13-14H2,1-2H3,(H,38,42);2,4-5,7-8,10-11,13,21-23,27,29H,1,3,6,9,12,14H2,(H-,39,40,41,44);1-7,9-10,13-16,20,36H,8,11-12,17H2;2-5,7-11,13-14,17-18,24,36H,6,12,15-16H2,1H3;3-10,13-16,26,32H,11-12H2,1-2H3,(H,34,36)/p+1/t;21?,22?,23-,27?;20-;;26-/m.01.0/s1.

What are the key properties of (4R)-4-[3-(2H-benzimidazol-5-yl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(5-fluoro-1H-indol-3-yl)pentan-2-one;2-[9-(difluoromethyl)-5,5-difluoro-8-aza-7-azoniatricyclo[4.3.0.02,4]nona-1(6),7-dien-7-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)-2-pyridinyl]ethyl]acetamide;5-[2-[1-(3,5-difluorophenyl)-5-(5-fluoro-1-methylsulfonylindol-3-yl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(4-methylphenyl)pyrazin-2-yl]pentan-2-one;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(1-methylpyrazol-4-yl)-2-pyridinyl]ethyl]acetamide?

(4R)-4-[3-(2H-benzimidazol-5-yl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(5-fluoro-1H-indol-3-yl)pentan-2-one;2-[9-(difluoromethyl)-5,5-difluoro-8-aza-7-azoniatricyclo[4.3.0.02,4]nona-1(6),7-dien-7-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)-2-pyridinyl]ethyl]acetamide;5-[2-[1-(3,5-difluorophenyl)-5-(5-fluoro-1-methylsulfonylindol-3-yl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(4-methylphenyl)pyrazin-2-yl]pentan-2-one;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(1-methylpyrazol-4-yl)-2-pyridinyl]ethyl]acetamide has a molecular weight of 2757.88 g/mol, XLogP of 29.12, 41 rotatable bonds, 7 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-4-[3-(2H-benzimidazol-5-yl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(5-fluoro-1H-indol-3-yl)pentan-2-one;2-[9-(difluoromethyl)-5,5-difluoro-8-aza-7-azoniatricyclo[4.3.0.02,4]nona-1(6),7-dien-7-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)-2-pyridinyl]ethyl]acetamide;5-[2-[1-(3,5-difluorophenyl)-5-(5-fluoro-1-methylsulfonylindol-3-yl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(4-methylphenyl)pyrazin-2-yl]pentan-2-one;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(1-methylpyrazol-4-yl)-2-pyridinyl]ethyl]acetamide is sourced from PubChem (CID 158781406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).