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

C153H122F19N17O11 — CID 159611697

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

N-[(1S)-1-[3-(3-acetylphenyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-(2-oxo-1,5-dihydrocyclopenta[b]pyridin-7-yl)acetamide;N-[(1S)-1-[3-(2-cyclopropylethynyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-(6-hydroxy-3H-inden-1-yl)acetamide;5-[2-[(2R)-1-(3,5-difluorophenyl)-5-(5-fluoro-1H-indol-3-yl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[7-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetyl]amino]ethyl]-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 159611697) has the molecular formula C153H122F19N17O11 and a molecular weight of 2735.73 g/mol. Its IUPAC name is N-[(1S)-1-[3-(3-acetylphenyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-(2-oxo-1,5-dihydrocyclopenta[b]pyridin-7-yl)acetamide;N-[(1S)-1-[3-(2-cyclopropylethynyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-(6-hydroxy-3H-inden-1-yl)acetamide;5-[2-[(2R)-1-(3,5-difluorophenyl)-5-(5-fluoro-1H-indol-3-yl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[7-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetyl]amino]ethyl]-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: N-[(1S)-1-[3-(3-acetylphenyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-(2-oxo-1,5-dihydrocyclopenta[b]pyridin-7-yl)acetamide;N-[(1S)-1-[3-(2-cyclopropylethynyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-(6-hydroxy-3H-inden-1-yl)acetamide;5-[2-[(2R)-1-(3,5-difluorophenyl)-5-(5-fluoro-1H-indol-3-yl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[7-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetyl]amino]ethyl]-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: 159611697
• Molecular Formula: C153H122F19N17O11
• Molecular Weight: 2735.73 g/mol
• Exact Mass: 2733.92
• IUPAC Name: N-[(1S)-1-[3-(3-acetylphenyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-(2-oxo-1,5-dihydrocyclopenta[b]pyridin-7-yl)acetamide;N-[(1S)-1-[3-(2-cyclopropylethynyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-(6-hydroxy-3H-inden-1-yl)acetamide;5-[2-[(2R)-1-(3,5-difluorophenyl)-5-(5-fluoro-1H-indol-3-yl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[7-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetyl]amino]ethyl]-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](Cc2cc(F)cc(F)c2)NC(=O)CC2=CCc3ccc(=O)[nH]c32)c1.CC1CCCc2c(C(F)(F)F)nn(CC(=O)N[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)N[C@@H](Cc1cc(F)cc(F)c1)c1ncccc1C#CC1CC1
• InChI: InChI=1S/C31H22F6N4O2.C31H28F5N5O2.C31H23F4N3O2.C31H25F2N3O3.C29H24F2N2O2/c32-20-8-16(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;1-17-5-2-8-24-28(17)41(40-29(24)31(34,35)36)16-26(42)39-25(13-18-11-21(32)15-22(33)12-18)27-23(9-4-10-38-27)19-6-3-7-20(14-19)30(37)43;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;1-18(37)21-4-2-5-22(15-21)26-6-3-11-34-31(26)27(14-19-12-24(32)17-25(33)13-19)35-29(39)16-23-8-7-20-9-10-28(38)36-30(20)23;30-23-12-19(13-24(31)16-23)14-27(29-21(2-1-11-32-29)6-5-18-3-4-18)33-28(35)15-22-8-7-20-9-10-25(34)17-26(20)22/h1-9,11,13-15,27,40H,10,12H2,(H2,38,43)(H,41,42);3-4,6-7,9-12,14-15,17,25H,2,5,8,13,16H2,1H3,(H2,37,43)(H,39,42);1-7,9-10,13-16,19,38H,8,11-12H2,(H2,36,40);2-6,8-13,15,17,27H,7,14,16H2,1H3,(H,35,39)(H,36,38);1-2,8-13,16-18,27,34H,3-4,7,14-15H2,(H,33,35)/t27-;17?,25-;19-;2*27-/m00100/s1
• InChIKey: MMTSKANLPNWNRT-GYKCQGCMSA-N
• XLogP: 29.31
• TPSA: 446.75 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 18
• Rotatable Bonds: 39
• Heavy Atoms: 200
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2735.73
LogP ≤ 5	29.31
H-Bond Donors ≤ 5	11
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 N-[(1S)-1-[3-(3-acetylphenyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-(2-oxo-1,5-dihydrocyclopenta[b]pyridin-7-yl)acetamide;N-[(1S)-1-[3-(2-cyclopropylethynyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-(6-hydroxy-3H-inden-1-yl)acetamide;5-[2-[(2R)-1-(3,5-difluorophenyl)-5-(5-fluoro-1H-indol-3-yl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[7-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetyl]amino]ethyl]-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 N-[(1S)-1-[3-(3-acetylphenyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-(2-oxo-1,5-dihydrocyclopenta[b]pyridin-7-yl)acetamide;N-[(1S)-1-[3-(2-cyclopropylethynyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-(6-hydroxy-3H-inden-1-yl)acetamide;5-[2-[(2R)-1-(3,5-difluorophenyl)-5-(5-fluoro-1H-indol-3-yl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[7-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetyl]amino]ethyl]-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 159611697) is N-[(1S)-1-[3-(3-acetylphenyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-(2-oxo-1,5-dihydrocyclopenta[b]pyridin-7-yl)acetamide;N-[(1S)-1-[3-(2-cyclopropylethynyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-(6-hydroxy-3H-inden-1-yl)acetamide;5-[2-[(2R)-1-(3,5-difluorophenyl)-5-(5-fluoro-1H-indol-3-yl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[7-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetyl]amino]ethyl]-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 N-[(1S)-1-[3-(3-acetylphenyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-(2-oxo-1,5-dihydrocyclopenta[b]pyridin-7-yl)acetamide;N-[(1S)-1-[3-(2-cyclopropylethynyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-(6-hydroxy-3H-inden-1-yl)acetamide;5-[2-[(2R)-1-(3,5-difluorophenyl)-5-(5-fluoro-1H-indol-3-yl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[7-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetyl]amino]ethyl]-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 N-[(1S)-1-[3-(3-acetylphenyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-(2-oxo-1,5-dihydrocyclopenta[b]pyridin-7-yl)acetamide;N-[(1S)-1-[3-(2-cyclopropylethynyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-(6-hydroxy-3H-inden-1-yl)acetamide;5-[2-[(2R)-1-(3,5-difluorophenyl)-5-(5-fluoro-1H-indol-3-yl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[7-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetyl]amino]ethyl]-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](Cc2cc(F)cc(F)c2)NC(=O)CC2=CCc3ccc(=O)[nH]c32)c1.CC1CCCc2c(C(F)(F)F)nn(CC(=O)N[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)N[C@@H](Cc1cc(F)cc(F)c1)c1ncccc1C#CC1CC1.

What is the InChIKey of N-[(1S)-1-[3-(3-acetylphenyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-(2-oxo-1,5-dihydrocyclopenta[b]pyridin-7-yl)acetamide;N-[(1S)-1-[3-(2-cyclopropylethynyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-(6-hydroxy-3H-inden-1-yl)acetamide;5-[2-[(2R)-1-(3,5-difluorophenyl)-5-(5-fluoro-1H-indol-3-yl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[7-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetyl]amino]ethyl]-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 MMTSKANLPNWNRT-GYKCQGCMSA-N. The full InChI is InChI=1S/C31H22F6N4O2.C31H28F5N5O2.C31H23F4N3O2.C31H25F2N3O3.C29H24F2N2O2/c32-20-8-16(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;1-17-5-2-8-24-28(17)41(40-29(24)31(34,35)36)16-26(42)39-25(13-18-11-21(32)15-22(33)12-18)27-23(9-4-10-38-27)19-6-3-7-20(14-19)30(37)43;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;1-18(37)21-4-2-5-22(15-21)26-6-3-11-34-31(26)27(14-19-12-24(32)17-25(33)13-19)35-29(39)16-23-8-7-20-9-10-28(38)36-30(20)23;30-23-12-19(13-24(31)16-23)14-27(29-21(2-1-11-32-29)6-5-18-3-4-18)33-28(35)15-22-8-7-20-9-10-25(34)17-26(20)22/h1-9,11,13-15,27,40H,10,12H2,(H2,38,43)(H,41,42);3-4,6-7,9-12,14-15,17,25H,2,5,8,13,16H2,1H3,(H2,37,43)(H,39,42);1-7,9-10,13-16,19,38H,8,11-12H2,(H2,36,40);2-6,8-13,15,17,27H,7,14,16H2,1H3,(H,35,39)(H,36,38);1-2,8-13,16-18,27,34H,3-4,7,14-15H2,(H,33,35)/t27-;17?,25-;19-;2*27-/m00100/s1.

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

N-[(1S)-1-[3-(3-acetylphenyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-(2-oxo-1,5-dihydrocyclopenta[b]pyridin-7-yl)acetamide;N-[(1S)-1-[3-(2-cyclopropylethynyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-(6-hydroxy-3H-inden-1-yl)acetamide;5-[2-[(2R)-1-(3,5-difluorophenyl)-5-(5-fluoro-1H-indol-3-yl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[7-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetyl]amino]ethyl]-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 2735.73 g/mol, XLogP of 29.31, 39 rotatable bonds, 11 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S)-1-[3-(3-acetylphenyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-(2-oxo-1,5-dihydrocyclopenta[b]pyridin-7-yl)acetamide;N-[(1S)-1-[3-(2-cyclopropylethynyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-(6-hydroxy-3H-inden-1-yl)acetamide;5-[2-[(2R)-1-(3,5-difluorophenyl)-5-(5-fluoro-1H-indol-3-yl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[7-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetyl]amino]ethyl]-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 159611697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).