N-[(1S)-1-[3-(3,5-dichlorophenyl)-2-pyridinyl]-2-(3-fluoro-5-methylphenyl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide;2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(1H-indol-5-yl)-2-pyridinyl]ethyl]acetamide;2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-(3-naphthalen-1-yl-2-pyridinyl)ethyl]acetamide;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(3-methylphenyl)-2-pyridinyl]ethyl]acetamide

C125H97Cl2F16N15O4 — CID 158677948

About N-[(1S)-1-[3-(3,5-dichlorophenyl)-2-pyridinyl]-2-(3-fluoro-5-methylphenyl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide;2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(1H-indol-5-yl)-2-pyridinyl]ethyl]acetamide;2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-(3-naphthalen-1-yl-2-pyridinyl)ethyl]acetamide;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(3-methylphenyl)-2-pyridinyl]ethyl]acetamide

N-[(1S)-1-[3-(3,5-dichlorophenyl)-2-pyridinyl]-2-(3-fluoro-5-methylphenyl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide;2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(1H-indol-5-yl)-2-pyridinyl]ethyl]acetamide;2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-(3-naphthalen-1-yl-2-pyridinyl)ethyl]acetamide;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(3-methylphenyl)-2-pyridinyl]ethyl]acetamide (PubChem CID 158677948) has the molecular formula C125H97Cl2F16N15O4 and a molecular weight of 2248.13 g/mol. Its IUPAC name is N-[(1S)-1-[3-(3,5-dichlorophenyl)-2-pyridinyl]-2-(3-fluoro-5-methylphenyl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide;2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(1H-indol-5-yl)-2-pyridinyl]ethyl]acetamide;2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-(3-naphthalen-1-yl-2-pyridinyl)ethyl]acetamide;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(3-methylphenyl)-2-pyridinyl]ethyl]acetamide.

Molecular Properties

• Compound Name: N-[(1S)-1-[3-(3,5-dichlorophenyl)-2-pyridinyl]-2-(3-fluoro-5-methylphenyl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide;2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(1H-indol-5-yl)-2-pyridinyl]ethyl]acetamide;2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-(3-naphthalen-1-yl-2-pyridinyl)ethyl]acetamide;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(3-methylphenyl)-2-pyridinyl]ethyl]acetamide
• PubChem CID: 158677948
• Molecular Formula: C125H97Cl2F16N15O4
• Molecular Weight: 2248.13 g/mol
• Exact Mass: 2245.70
• IUPAC Name: N-[(1S)-1-[3-(3,5-dichlorophenyl)-2-pyridinyl]-2-(3-fluoro-5-methylphenyl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide;2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(1H-indol-5-yl)-2-pyridinyl]ethyl]acetamide;2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-(3-naphthalen-1-yl-2-pyridinyl)ethyl]acetamide;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(3-methylphenyl)-2-pyridinyl]ethyl]acetamide
• SMILES: Cc1cc(F)cc(C[C@H](NC(=O)Cc2c[nH]c3ccc(F)cc23)c2ncccc2-c2cc(Cl)cc(Cl)c2)c1.Cc1cc(F)cc(C[C@H](NC(=O)Cc2c[nH]c3ccc(F)cc23)c2ncccc2-c2cccc(C)c2)c1.O=C(Cn1nc(C(F)F)c2c1C(F)(F)C1CC21)N[C@@H](Cc1cc(F)cc(F)c1)c1ncccc1-c1ccc2[nH]ccc2c1.O=C(Cn1nc(C(F)F)c2c1C(F)(F)C1CC21)N[C@@H](Cc1cc(F)cc(F)c1)c1ncccc1-c1cccc2ccccc12
• InChI: InChI=1S/C33H24F6N4O.C31H23F6N5O.C31H27F2N3O.C30H23Cl2F2N3O/c34-19-11-17(12-20(35)14-19)13-26(29-23(9-4-10-40-29)22-8-3-6-18-5-1-2-7-21(18)22)41-27(44)16-43-31-28(30(42-43)32(36)37)24-15-25(24)33(31,38)39;32-18-8-15(9-19(33)12-18)10-24(27-20(2-1-6-39-27)16-3-4-23-17(11-16)5-7-38-23)40-25(43)14-42-29-26(28(41-42)30(34)35)21-13-22(21)31(29,36)37;1-19-5-3-6-22(12-19)26-7-4-10-34-31(26)29(15-21-11-20(2)13-25(33)14-21)36-30(37)16-23-18-35-28-9-8-24(32)17-27(23)28;1-17-7-18(9-24(34)8-17)10-28(30-25(3-2-6-35-30)19-11-21(31)14-22(32)12-19)37-29(38)13-20-16-36-27-5-4-23(33)15-26(20)27/h1-12,14,24-26,32H,13,15-16H2,(H,41,44);1-9,11-12,21-22,24,30,38H,10,13-14H2,(H,40,43);3-14,17-18,29,35H,15-16H2,1-2H3,(H,36,37);2-9,11-12,14-16,28,36H,10,13H2,1H3,(H,37,38)/t24?,25?,26-;21?,22?,24-;29-;28-/m0000/s1
• InChIKey: IETJBLOOEAVQOZ-JMLFGFMHSA-N
• XLogP: 29.11
• TPSA: 250.97 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 12
• Rotatable Bonds: 30
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2248.13
LogP ≤ 5	29.11
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[3-(3,5-dichlorophenyl)-2-pyridinyl]-2-(3-fluoro-5-methylphenyl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide;2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(1H-indol-5-yl)-2-pyridinyl]ethyl]acetamide;2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-(3-naphthalen-1-yl-2-pyridinyl)ethyl]acetamide;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(3-methylphenyl)-2-pyridinyl]ethyl]acetamide?

The IUPAC name of N-[(1S)-1-[3-(3,5-dichlorophenyl)-2-pyridinyl]-2-(3-fluoro-5-methylphenyl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide;2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(1H-indol-5-yl)-2-pyridinyl]ethyl]acetamide;2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-(3-naphthalen-1-yl-2-pyridinyl)ethyl]acetamide;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(3-methylphenyl)-2-pyridinyl]ethyl]acetamide (CID 158677948) is N-[(1S)-1-[3-(3,5-dichlorophenyl)-2-pyridinyl]-2-(3-fluoro-5-methylphenyl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide;2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(1H-indol-5-yl)-2-pyridinyl]ethyl]acetamide;2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-(3-naphthalen-1-yl-2-pyridinyl)ethyl]acetamide;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(3-methylphenyl)-2-pyridinyl]ethyl]acetamide.

What is the SMILES notation for N-[(1S)-1-[3-(3,5-dichlorophenyl)-2-pyridinyl]-2-(3-fluoro-5-methylphenyl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide;2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(1H-indol-5-yl)-2-pyridinyl]ethyl]acetamide;2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-(3-naphthalen-1-yl-2-pyridinyl)ethyl]acetamide;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(3-methylphenyl)-2-pyridinyl]ethyl]acetamide?

The canonical SMILES for N-[(1S)-1-[3-(3,5-dichlorophenyl)-2-pyridinyl]-2-(3-fluoro-5-methylphenyl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide;2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(1H-indol-5-yl)-2-pyridinyl]ethyl]acetamide;2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-(3-naphthalen-1-yl-2-pyridinyl)ethyl]acetamide;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(3-methylphenyl)-2-pyridinyl]ethyl]acetamide is Cc1cc(F)cc(C[C@H](NC(=O)Cc2c[nH]c3ccc(F)cc23)c2ncccc2-c2cc(Cl)cc(Cl)c2)c1.Cc1cc(F)cc(C[C@H](NC(=O)Cc2c[nH]c3ccc(F)cc23)c2ncccc2-c2cccc(C)c2)c1.O=C(Cn1nc(C(F)F)c2c1C(F)(F)C1CC21)N[C@@H](Cc1cc(F)cc(F)c1)c1ncccc1-c1ccc2[nH]ccc2c1.O=C(Cn1nc(C(F)F)c2c1C(F)(F)C1CC21)N[C@@H](Cc1cc(F)cc(F)c1)c1ncccc1-c1cccc2ccccc12.

What is the InChIKey of N-[(1S)-1-[3-(3,5-dichlorophenyl)-2-pyridinyl]-2-(3-fluoro-5-methylphenyl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide;2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(1H-indol-5-yl)-2-pyridinyl]ethyl]acetamide;2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-(3-naphthalen-1-yl-2-pyridinyl)ethyl]acetamide;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(3-methylphenyl)-2-pyridinyl]ethyl]acetamide?

The InChIKey is IETJBLOOEAVQOZ-JMLFGFMHSA-N. The full InChI is InChI=1S/C33H24F6N4O.C31H23F6N5O.C31H27F2N3O.C30H23Cl2F2N3O/c34-19-11-17(12-20(35)14-19)13-26(29-23(9-4-10-40-29)22-8-3-6-18-5-1-2-7-21(18)22)41-27(44)16-43-31-28(30(42-43)32(36)37)24-15-25(24)33(31,38)39;32-18-8-15(9-19(33)12-18)10-24(27-20(2-1-6-39-27)16-3-4-23-17(11-16)5-7-38-23)40-25(43)14-42-29-26(28(41-42)30(34)35)21-13-22(21)31(29,36)37;1-19-5-3-6-22(12-19)26-7-4-10-34-31(26)29(15-21-11-20(2)13-25(33)14-21)36-30(37)16-23-18-35-28-9-8-24(32)17-27(23)28;1-17-7-18(9-24(34)8-17)10-28(30-25(3-2-6-35-30)19-11-21(31)14-22(32)12-19)37-29(38)13-20-16-36-27-5-4-23(33)15-26(20)27/h1-12,14,24-26,32H,13,15-16H2,(H,41,44);1-9,11-12,21-22,24,30,38H,10,13-14H2,(H,40,43);3-14,17-18,29,35H,15-16H2,1-2H3,(H,36,37);2-9,11-12,14-16,28,36H,10,13H2,1H3,(H,37,38)/t24?,25?,26-;21?,22?,24-;29-;28-/m0000/s1.

What are the key properties of N-[(1S)-1-[3-(3,5-dichlorophenyl)-2-pyridinyl]-2-(3-fluoro-5-methylphenyl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide;2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(1H-indol-5-yl)-2-pyridinyl]ethyl]acetamide;2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-(3-naphthalen-1-yl-2-pyridinyl)ethyl]acetamide;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(3-methylphenyl)-2-pyridinyl]ethyl]acetamide?

N-[(1S)-1-[3-(3,5-dichlorophenyl)-2-pyridinyl]-2-(3-fluoro-5-methylphenyl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide;2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(1H-indol-5-yl)-2-pyridinyl]ethyl]acetamide;2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-(3-naphthalen-1-yl-2-pyridinyl)ethyl]acetamide;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(3-methylphenyl)-2-pyridinyl]ethyl]acetamide has a molecular weight of 2248.13 g/mol, XLogP of 29.11, 30 rotatable bonds, 7 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S)-1-[3-(3,5-dichlorophenyl)-2-pyridinyl]-2-(3-fluoro-5-methylphenyl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide;2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(1H-indol-5-yl)-2-pyridinyl]ethyl]acetamide;2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-(3-naphthalen-1-yl-2-pyridinyl)ethyl]acetamide;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(3-methylphenyl)-2-pyridinyl]ethyl]acetamide is sourced from PubChem (CID 158677948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).