(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[5-(hydroxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;N-[(1S)-1-[3-(4-chloro-3-fluorophenyl)-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-naphthalen-2-yl-2-pyridinyl)ethyl]acetamide;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(6-methoxynaphthalen-2-yl)-2-pyridinyl]ethyl]acetamide

C127H99ClF17N13O7 — CID 161113275

About (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[5-(hydroxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;N-[(1S)-1-[3-(4-chloro-3-fluorophenyl)-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-naphthalen-2-yl-2-pyridinyl)ethyl]acetamide;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(6-methoxynaphthalen-2-yl)-2-pyridinyl]ethyl]acetamide

(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[5-(hydroxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;N-[(1S)-1-[3-(4-chloro-3-fluorophenyl)-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-naphthalen-2-yl-2-pyridinyl)ethyl]acetamide;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(6-methoxynaphthalen-2-yl)-2-pyridinyl]ethyl]acetamide (PubChem CID 161113275) has the molecular formula C127H99ClF17N13O7 and a molecular weight of 2277.69 g/mol. Its IUPAC name is (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[5-(hydroxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;N-[(1S)-1-[3-(4-chloro-3-fluorophenyl)-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-naphthalen-2-yl-2-pyridinyl)ethyl]acetamide;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(6-methoxynaphthalen-2-yl)-2-pyridinyl]ethyl]acetamide.

Molecular Properties

• Compound Name: (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[5-(hydroxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;N-[(1S)-1-[3-(4-chloro-3-fluorophenyl)-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-naphthalen-2-yl-2-pyridinyl)ethyl]acetamide;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(6-methoxynaphthalen-2-yl)-2-pyridinyl]ethyl]acetamide
• PubChem CID: 161113275
• Molecular Formula: C127H99ClF17N13O7
• Molecular Weight: 2277.69 g/mol
• Exact Mass: 2275.72
• IUPAC Name: (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[5-(hydroxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;N-[(1S)-1-[3-(4-chloro-3-fluorophenyl)-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-naphthalen-2-yl-2-pyridinyl)ethyl]acetamide;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(6-methoxynaphthalen-2-yl)-2-pyridinyl]ethyl]acetamide
• SMILES: CC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2nc(C(F)(F)F)cc2CO)Cc2cc(F)cc(F)c2)ccc1F.COc1ccc2cc(-c3cccnc3[C@H](Cc3cc(C)cc(F)c3)NC(=O)Cc3c[nH]c4ccc(F)cc34)ccc2c1.Cc1cc(F)cc(C[C@H](NC(=O)Cc2c[nH]c3ccc(F)cc23)c2ncccc2-c2ccc(Cl)c(F)c2)c1.O=C(Cn1nc(C(F)F)c2c1C(F)(F)C1CC21)N[C@@H](Cc1cc(F)cc(F)c1)c1ncccc1-c1ccc2ccccc2c1
• InChI: InChI=1S/C35H29F2N3O2.C33H24F6N4O.C30H23ClF3N3O.C29H23F6N3O3/c1-21-12-22(14-28(37)13-21)15-33(40-34(41)18-26-20-39-32-10-8-27(36)19-31(26)32)35-30(4-3-11-38-35)25-6-5-24-17-29(42-2)9-7-23(24)16-25;34-21-10-17(11-22(35)14-21)12-26(29-23(6-3-9-40-29)20-8-7-18-4-1-2-5-19(18)13-20)41-27(44)16-43-31-28(30(42-43)32(36)37)24-15-25(24)33(31,38)39;1-17-9-18(11-22(33)10-17)12-28(30-23(3-2-8-35-30)19-4-6-25(31)26(34)13-19)37-29(38)14-20-16-36-27-7-5-21(32)15-24(20)27;1-16(40)25-11-18(4-5-26(25)32)24-3-2-6-36-28(24)19(7-17-8-20(30)12-21(31)9-17)10-23(41)14-38-22(15-39)13-27(37-38)29(33,34)35/h3-14,16-17,19-20,33,39H,15,18H2,1-2H3,(H,40,41);1-11,13-14,24-26,32H,12,15-16H2,(H,41,44);2-11,13,15-16,28,36H,12,14H2,1H3,(H,37,38);2-6,8-9,11-13,19,39H,7,10,14-15H2,1H3/t33-;24?,25?,26-;28-;19-/m0001/s1
• InChIKey: UJZCGFKFWAVVCN-UKMBHXDKSA-N
• XLogP: 28.56
• TPSA: 269.68 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 15
• Rotatable Bonds: 33
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2277.69
LogP ≤ 5	28.56
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[5-(hydroxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;N-[(1S)-1-[3-(4-chloro-3-fluorophenyl)-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-naphthalen-2-yl-2-pyridinyl)ethyl]acetamide;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(6-methoxynaphthalen-2-yl)-2-pyridinyl]ethyl]acetamide?

The IUPAC name of (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[5-(hydroxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;N-[(1S)-1-[3-(4-chloro-3-fluorophenyl)-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-naphthalen-2-yl-2-pyridinyl)ethyl]acetamide;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(6-methoxynaphthalen-2-yl)-2-pyridinyl]ethyl]acetamide (CID 161113275) is (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[5-(hydroxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;N-[(1S)-1-[3-(4-chloro-3-fluorophenyl)-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-naphthalen-2-yl-2-pyridinyl)ethyl]acetamide;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(6-methoxynaphthalen-2-yl)-2-pyridinyl]ethyl]acetamide.

What is the SMILES notation for (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[5-(hydroxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;N-[(1S)-1-[3-(4-chloro-3-fluorophenyl)-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-naphthalen-2-yl-2-pyridinyl)ethyl]acetamide;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(6-methoxynaphthalen-2-yl)-2-pyridinyl]ethyl]acetamide?

The canonical SMILES for (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[5-(hydroxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;N-[(1S)-1-[3-(4-chloro-3-fluorophenyl)-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-naphthalen-2-yl-2-pyridinyl)ethyl]acetamide;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(6-methoxynaphthalen-2-yl)-2-pyridinyl]ethyl]acetamide is CC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2nc(C(F)(F)F)cc2CO)Cc2cc(F)cc(F)c2)ccc1F.COc1ccc2cc(-c3cccnc3[C@H](Cc3cc(C)cc(F)c3)NC(=O)Cc3c[nH]c4ccc(F)cc34)ccc2c1.Cc1cc(F)cc(C[C@H](NC(=O)Cc2c[nH]c3ccc(F)cc23)c2ncccc2-c2ccc(Cl)c(F)c2)c1.O=C(Cn1nc(C(F)F)c2c1C(F)(F)C1CC21)N[C@@H](Cc1cc(F)cc(F)c1)c1ncccc1-c1ccc2ccccc2c1.

What is the InChIKey of (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[5-(hydroxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;N-[(1S)-1-[3-(4-chloro-3-fluorophenyl)-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-naphthalen-2-yl-2-pyridinyl)ethyl]acetamide;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(6-methoxynaphthalen-2-yl)-2-pyridinyl]ethyl]acetamide?

The InChIKey is UJZCGFKFWAVVCN-UKMBHXDKSA-N. The full InChI is InChI=1S/C35H29F2N3O2.C33H24F6N4O.C30H23ClF3N3O.C29H23F6N3O3/c1-21-12-22(14-28(37)13-21)15-33(40-34(41)18-26-20-39-32-10-8-27(36)19-31(26)32)35-30(4-3-11-38-35)25-6-5-24-17-29(42-2)9-7-23(24)16-25;34-21-10-17(11-22(35)14-21)12-26(29-23(6-3-9-40-29)20-8-7-18-4-1-2-5-19(18)13-20)41-27(44)16-43-31-28(30(42-43)32(36)37)24-15-25(24)33(31,38)39;1-17-9-18(11-22(33)10-17)12-28(30-23(3-2-8-35-30)19-4-6-25(31)26(34)13-19)37-29(38)14-20-16-36-27-7-5-21(32)15-24(20)27;1-16(40)25-11-18(4-5-26(25)32)24-3-2-6-36-28(24)19(7-17-8-20(30)12-21(31)9-17)10-23(41)14-38-22(15-39)13-27(37-38)29(33,34)35/h3-14,16-17,19-20,33,39H,15,18H2,1-2H3,(H,40,41);1-11,13-14,24-26,32H,12,15-16H2,(H,41,44);2-11,13,15-16,28,36H,12,14H2,1H3,(H,37,38);2-6,8-9,11-13,19,39H,7,10,14-15H2,1H3/t33-;24?,25?,26-;28-;19-/m0001/s1.

What are the key properties of (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[5-(hydroxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;N-[(1S)-1-[3-(4-chloro-3-fluorophenyl)-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-naphthalen-2-yl-2-pyridinyl)ethyl]acetamide;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(6-methoxynaphthalen-2-yl)-2-pyridinyl]ethyl]acetamide?

(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[5-(hydroxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;N-[(1S)-1-[3-(4-chloro-3-fluorophenyl)-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-naphthalen-2-yl-2-pyridinyl)ethyl]acetamide;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(6-methoxynaphthalen-2-yl)-2-pyridinyl]ethyl]acetamide has a molecular weight of 2277.69 g/mol, XLogP of 28.56, 33 rotatable bonds, 6 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[5-(hydroxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;N-[(1S)-1-[3-(4-chloro-3-fluorophenyl)-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-naphthalen-2-yl-2-pyridinyl)ethyl]acetamide;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(6-methoxynaphthalen-2-yl)-2-pyridinyl]ethyl]acetamide is sourced from PubChem (CID 161113275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).