7-[(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-1,5-dihydrocyclopenta[b]pyridin-2-one;(4R)-4-[3-(2-cyclopropylethynyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)pentan-2-one;5-[2-[(2R)-1-(3,5-difluorophenyl)-5-(5-fluoro-1H-indol-3-yl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;3-[2-[(2R)-1-(3,5-difluorophenyl)-5-[7-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]benzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[5-(trifluoromethyl)-1H-indol-3-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluorobenzamide

C156H125F19N14O11 — CID 159075889

About 7-[(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-1,5-dihydrocyclopenta[b]pyridin-2-one;(4R)-4-[3-(2-cyclopropylethynyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)pentan-2-one;5-[2-[(2R)-1-(3,5-difluorophenyl)-5-(5-fluoro-1H-indol-3-yl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;3-[2-[(2R)-1-(3,5-difluorophenyl)-5-[7-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]benzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[5-(trifluoromethyl)-1H-indol-3-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluorobenzamide

7-[(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-1,5-dihydrocyclopenta[b]pyridin-2-one;(4R)-4-[3-(2-cyclopropylethynyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)pentan-2-one;5-[2-[(2R)-1-(3,5-difluorophenyl)-5-(5-fluoro-1H-indol-3-yl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;3-[2-[(2R)-1-(3,5-difluorophenyl)-5-[7-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]benzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[5-(trifluoromethyl)-1H-indol-3-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluorobenzamide (PubChem CID 159075889) has the molecular formula C156H125F19N14O11 and a molecular weight of 2732.76 g/mol. Its IUPAC name is 7-[(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-1,5-dihydrocyclopenta[b]pyridin-2-one;(4R)-4-[3-(2-cyclopropylethynyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)pentan-2-one;5-[2-[(2R)-1-(3,5-difluorophenyl)-5-(5-fluoro-1H-indol-3-yl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;3-[2-[(2R)-1-(3,5-difluorophenyl)-5-[7-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]benzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[5-(trifluoromethyl)-1H-indol-3-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluorobenzamide.

Molecular Properties

• Compound Name: 7-[(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-1,5-dihydrocyclopenta[b]pyridin-2-one;(4R)-4-[3-(2-cyclopropylethynyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)pentan-2-one;5-[2-[(2R)-1-(3,5-difluorophenyl)-5-(5-fluoro-1H-indol-3-yl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;3-[2-[(2R)-1-(3,5-difluorophenyl)-5-[7-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]benzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[5-(trifluoromethyl)-1H-indol-3-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluorobenzamide
• PubChem CID: 159075889
• Molecular Formula: C156H125F19N14O11
• Molecular Weight: 2732.76 g/mol
• Exact Mass: 2730.93
• IUPAC Name: 7-[(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-1,5-dihydrocyclopenta[b]pyridin-2-one;(4R)-4-[3-(2-cyclopropylethynyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)pentan-2-one;5-[2-[(2R)-1-(3,5-difluorophenyl)-5-(5-fluoro-1H-indol-3-yl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;3-[2-[(2R)-1-(3,5-difluorophenyl)-5-[7-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]benzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[5-(trifluoromethyl)-1H-indol-3-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluorobenzamide
• SMILES: CC(=O)c1cccc(-c2cccnc2[C@@H](CC(=O)CC2=CCc3ccc(=O)[nH]c32)Cc2cc(F)cc(F)c2)c1.CC1CCCc2c(C(F)(F)F)nn(CC(=O)C[C@@H](Cc3cc(F)cc(F)c3)c3ncccc3-c3cccc(C(N)=O)c3)c21.NC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)Cc2c[nH]c3ccc(F)cc23)Cc2cc(F)cc(F)c2)ccc1F.NC(=O)c1cc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cc2c[nH]c3ccc(C(F)(F)F)cc23)ccc1F.O=C(CC1=CCc2ccc(O)cc21)C[C@@H](Cc1cc(F)cc(F)c1)c1ncccc1C#CC1CC1
• InChI: InChI=1S/C32H29F5N4O2.C32H26F2N2O3.C31H22F6N4O2.C31H23F4N3O2.C30H25F2NO2/c1-18-5-2-8-27-29(18)41(40-30(27)32(35,36)37)17-25(42)15-22(11-19-12-23(33)16-24(34)13-19)28-26(9-4-10-39-28)20-6-3-7-21(14-20)31(38)43;1-19(37)22-4-2-5-23(15-22)29-6-3-11-35-32(29)25(12-20-13-26(33)18-27(34)14-20)17-28(38)16-24-8-7-21-9-10-30(39)36-31(21)24;32-20-8-16(9-21(33)14-20)10-27(29-22(2-1-7-39-29)17-3-5-25(34)24(11-17)30(38)43)41-28(42)12-18-15-40-26-6-4-19(13-23(18)26)31(35,36)37;32-21-4-6-29-26(15-21)20(16-38-29)12-24(39)11-19(8-17-9-22(33)14-23(34)10-17)30-25(2-1-7-37-30)18-3-5-28(35)27(13-18)31(36)40;31-25-13-20(14-26(32)17-25)12-24(30-22(2-1-11-33-30)6-5-19-3-4-19)16-28(35)15-23-8-7-21-9-10-27(34)18-29(21)23/h3-4,6-7,9-10,12-14,16,18,22H,2,5,8,11,15,17H2,1H3,(H2,38,43);2-6,8-11,13-15,18,25H,7,12,16-17H2,1H3,(H,36,39);1-9,11,13-15,27,40H,10,12H2,(H2,38,43)(H,41,42);1-7,9-10,13-16,19,38H,8,11-12H2,(H2,36,40);1-2,8-11,13-14,17-19,24,34H,3-4,7,12,15-16H2/t18?,22-;25-;27-;19-;24-/m11011/s1
• InChIKey: KAFYKWHDJGDEJM-SUCJQGBLSA-N
• XLogP: 31.96
• TPSA: 410.66 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 18
• Rotatable Bonds: 42
• Heavy Atoms: 200
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2732.76
LogP ≤ 5	31.96
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-[(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-1,5-dihydrocyclopenta[b]pyridin-2-one;(4R)-4-[3-(2-cyclopropylethynyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)pentan-2-one;5-[2-[(2R)-1-(3,5-difluorophenyl)-5-(5-fluoro-1H-indol-3-yl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;3-[2-[(2R)-1-(3,5-difluorophenyl)-5-[7-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]benzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[5-(trifluoromethyl)-1H-indol-3-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluorobenzamide?

The IUPAC name of 7-[(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-1,5-dihydrocyclopenta[b]pyridin-2-one;(4R)-4-[3-(2-cyclopropylethynyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)pentan-2-one;5-[2-[(2R)-1-(3,5-difluorophenyl)-5-(5-fluoro-1H-indol-3-yl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;3-[2-[(2R)-1-(3,5-difluorophenyl)-5-[7-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]benzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[5-(trifluoromethyl)-1H-indol-3-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluorobenzamide (CID 159075889) is 7-[(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-1,5-dihydrocyclopenta[b]pyridin-2-one;(4R)-4-[3-(2-cyclopropylethynyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)pentan-2-one;5-[2-[(2R)-1-(3,5-difluorophenyl)-5-(5-fluoro-1H-indol-3-yl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;3-[2-[(2R)-1-(3,5-difluorophenyl)-5-[7-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]benzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[5-(trifluoromethyl)-1H-indol-3-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluorobenzamide.

What is the SMILES notation for 7-[(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-1,5-dihydrocyclopenta[b]pyridin-2-one;(4R)-4-[3-(2-cyclopropylethynyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)pentan-2-one;5-[2-[(2R)-1-(3,5-difluorophenyl)-5-(5-fluoro-1H-indol-3-yl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;3-[2-[(2R)-1-(3,5-difluorophenyl)-5-[7-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]benzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[5-(trifluoromethyl)-1H-indol-3-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluorobenzamide?

The canonical SMILES for 7-[(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-1,5-dihydrocyclopenta[b]pyridin-2-one;(4R)-4-[3-(2-cyclopropylethynyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)pentan-2-one;5-[2-[(2R)-1-(3,5-difluorophenyl)-5-(5-fluoro-1H-indol-3-yl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;3-[2-[(2R)-1-(3,5-difluorophenyl)-5-[7-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]benzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[5-(trifluoromethyl)-1H-indol-3-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluorobenzamide is CC(=O)c1cccc(-c2cccnc2[C@@H](CC(=O)CC2=CCc3ccc(=O)[nH]c32)Cc2cc(F)cc(F)c2)c1.CC1CCCc2c(C(F)(F)F)nn(CC(=O)C[C@@H](Cc3cc(F)cc(F)c3)c3ncccc3-c3cccc(C(N)=O)c3)c21.NC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)Cc2c[nH]c3ccc(F)cc23)Cc2cc(F)cc(F)c2)ccc1F.NC(=O)c1cc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cc2c[nH]c3ccc(C(F)(F)F)cc23)ccc1F.O=C(CC1=CCc2ccc(O)cc21)C[C@@H](Cc1cc(F)cc(F)c1)c1ncccc1C#CC1CC1.

What is the InChIKey of 7-[(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-1,5-dihydrocyclopenta[b]pyridin-2-one;(4R)-4-[3-(2-cyclopropylethynyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)pentan-2-one;5-[2-[(2R)-1-(3,5-difluorophenyl)-5-(5-fluoro-1H-indol-3-yl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;3-[2-[(2R)-1-(3,5-difluorophenyl)-5-[7-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]benzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[5-(trifluoromethyl)-1H-indol-3-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluorobenzamide?

The InChIKey is KAFYKWHDJGDEJM-SUCJQGBLSA-N. The full InChI is InChI=1S/C32H29F5N4O2.C32H26F2N2O3.C31H22F6N4O2.C31H23F4N3O2.C30H25F2NO2/c1-18-5-2-8-27-29(18)41(40-30(27)32(35,36)37)17-25(42)15-22(11-19-12-23(33)16-24(34)13-19)28-26(9-4-10-39-28)20-6-3-7-21(14-20)31(38)43;1-19(37)22-4-2-5-23(15-22)29-6-3-11-35-32(29)25(12-20-13-26(33)18-27(34)14-20)17-28(38)16-24-8-7-21-9-10-30(39)36-31(21)24;32-20-8-16(9-21(33)14-20)10-27(29-22(2-1-7-39-29)17-3-5-25(34)24(11-17)30(38)43)41-28(42)12-18-15-40-26-6-4-19(13-23(18)26)31(35,36)37;32-21-4-6-29-26(15-21)20(16-38-29)12-24(39)11-19(8-17-9-22(33)14-23(34)10-17)30-25(2-1-7-37-30)18-3-5-28(35)27(13-18)31(36)40;31-25-13-20(14-26(32)17-25)12-24(30-22(2-1-11-33-30)6-5-19-3-4-19)16-28(35)15-23-8-7-21-9-10-27(34)18-29(21)23/h3-4,6-7,9-10,12-14,16,18,22H,2,5,8,11,15,17H2,1H3,(H2,38,43);2-6,8-11,13-15,18,25H,7,12,16-17H2,1H3,(H,36,39);1-9,11,13-15,27,40H,10,12H2,(H2,38,43)(H,41,42);1-7,9-10,13-16,19,38H,8,11-12H2,(H2,36,40);1-2,8-11,13-14,17-19,24,34H,3-4,7,12,15-16H2/t18?,22-;25-;27-;19-;24-/m11011/s1.

What are the key properties of 7-[(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-1,5-dihydrocyclopenta[b]pyridin-2-one;(4R)-4-[3-(2-cyclopropylethynyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)pentan-2-one;5-[2-[(2R)-1-(3,5-difluorophenyl)-5-(5-fluoro-1H-indol-3-yl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;3-[2-[(2R)-1-(3,5-difluorophenyl)-5-[7-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]benzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[5-(trifluoromethyl)-1H-indol-3-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluorobenzamide?

7-[(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-1,5-dihydrocyclopenta[b]pyridin-2-one;(4R)-4-[3-(2-cyclopropylethynyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)pentan-2-one;5-[2-[(2R)-1-(3,5-difluorophenyl)-5-(5-fluoro-1H-indol-3-yl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;3-[2-[(2R)-1-(3,5-difluorophenyl)-5-[7-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]benzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[5-(trifluoromethyl)-1H-indol-3-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluorobenzamide has a molecular weight of 2732.76 g/mol, XLogP of 31.96, 42 rotatable bonds, 8 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-1,5-dihydrocyclopenta[b]pyridin-2-one;(4R)-4-[3-(2-cyclopropylethynyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)pentan-2-one;5-[2-[(2R)-1-(3,5-difluorophenyl)-5-(5-fluoro-1H-indol-3-yl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;3-[2-[(2R)-1-(3,5-difluorophenyl)-5-[7-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]benzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[5-(trifluoromethyl)-1H-indol-3-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluorobenzamide is sourced from PubChem (CID 159075889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).