N-[(1S)-1-[3-(3-acetylphenyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-(6-hydroxy-3H-inden-1-yl)acetamide;2-chloro-5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(6-hydroxy-3H-inden-1-yl)acetyl]amino]ethyl]-3-pyridinyl]benzamide;N-[(1S)-1-[3-(4-chlorophenyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-(2-oxo-1,5-dihydrocyclopenta[b]pyridin-7-yl)acetamide;N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(3-methylphenyl)-2-pyridinyl]ethyl]-2-(6-hydroxy-3H-inden-1-yl)acetamide;N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-methylphenyl)-2-pyridinyl]ethyl]-3,3,3-trifluoro-2-(5-fluoro-1H-indol-3-yl)propanamide

C154H121Cl2F14N13O11 — CID 159210884

About N-[(1S)-1-[3-(3-acetylphenyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-(6-hydroxy-3H-inden-1-yl)acetamide;2-chloro-5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(6-hydroxy-3H-inden-1-yl)acetyl]amino]ethyl]-3-pyridinyl]benzamide;N-[(1S)-1-[3-(4-chlorophenyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-(2-oxo-1,5-dihydrocyclopenta[b]pyridin-7-yl)acetamide;N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(3-methylphenyl)-2-pyridinyl]ethyl]-2-(6-hydroxy-3H-inden-1-yl)acetamide;N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-methylphenyl)-2-pyridinyl]ethyl]-3,3,3-trifluoro-2-(5-fluoro-1H-indol-3-yl)propanamide

N-[(1S)-1-[3-(3-acetylphenyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-(6-hydroxy-3H-inden-1-yl)acetamide;2-chloro-5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(6-hydroxy-3H-inden-1-yl)acetyl]amino]ethyl]-3-pyridinyl]benzamide;N-[(1S)-1-[3-(4-chlorophenyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-(2-oxo-1,5-dihydrocyclopenta[b]pyridin-7-yl)acetamide;N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(3-methylphenyl)-2-pyridinyl]ethyl]-2-(6-hydroxy-3H-inden-1-yl)acetamide;N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-methylphenyl)-2-pyridinyl]ethyl]-3,3,3-trifluoro-2-(5-fluoro-1H-indol-3-yl)propanamide (PubChem CID 159210884) has the molecular formula C154H121Cl2F14N13O11 and a molecular weight of 2666.62 g/mol. Its IUPAC name is N-[(1S)-1-[3-(3-acetylphenyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-(6-hydroxy-3H-inden-1-yl)acetamide;2-chloro-5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(6-hydroxy-3H-inden-1-yl)acetyl]amino]ethyl]-3-pyridinyl]benzamide;N-[(1S)-1-[3-(4-chlorophenyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-(2-oxo-1,5-dihydrocyclopenta[b]pyridin-7-yl)acetamide;N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(3-methylphenyl)-2-pyridinyl]ethyl]-2-(6-hydroxy-3H-inden-1-yl)acetamide;N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-methylphenyl)-2-pyridinyl]ethyl]-3,3,3-trifluoro-2-(5-fluoro-1H-indol-3-yl)propanamide.

Molecular Properties

• Compound Name: N-[(1S)-1-[3-(3-acetylphenyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-(6-hydroxy-3H-inden-1-yl)acetamide;2-chloro-5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(6-hydroxy-3H-inden-1-yl)acetyl]amino]ethyl]-3-pyridinyl]benzamide;N-[(1S)-1-[3-(4-chlorophenyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-(2-oxo-1,5-dihydrocyclopenta[b]pyridin-7-yl)acetamide;N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(3-methylphenyl)-2-pyridinyl]ethyl]-2-(6-hydroxy-3H-inden-1-yl)acetamide;N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-methylphenyl)-2-pyridinyl]ethyl]-3,3,3-trifluoro-2-(5-fluoro-1H-indol-3-yl)propanamide
• PubChem CID: 159210884
• Molecular Formula: C154H121Cl2F14N13O11
• Molecular Weight: 2666.62 g/mol
• Exact Mass: 2663.85
• IUPAC Name: N-[(1S)-1-[3-(3-acetylphenyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-(6-hydroxy-3H-inden-1-yl)acetamide;2-chloro-5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(6-hydroxy-3H-inden-1-yl)acetyl]amino]ethyl]-3-pyridinyl]benzamide;N-[(1S)-1-[3-(4-chlorophenyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-(2-oxo-1,5-dihydrocyclopenta[b]pyridin-7-yl)acetamide;N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(3-methylphenyl)-2-pyridinyl]ethyl]-2-(6-hydroxy-3H-inden-1-yl)acetamide;N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-methylphenyl)-2-pyridinyl]ethyl]-3,3,3-trifluoro-2-(5-fluoro-1H-indol-3-yl)propanamide
• SMILES: CC(=O)c1cccc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)CC2=CCc3ccc(O)cc32)c1.Cc1ccc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)C(c2c[nH]c3ccc(F)cc23)C(F)(F)F)cc1.Cc1cccc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)CC2=CCc3ccc(O)cc32)c1.NC(=O)c1cc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)CC2=CCc3ccc(O)cc32)ccc1Cl.O=C(CC1=CCc2ccc(=O)[nH]c21)N[C@@H](Cc1cc(F)cc(F)c1)c1ncccc1-c1ccc(Cl)cc1
• InChI: InChI=1S/C32H26F2N2O3.C31H24ClF2N3O3.C31H23F6N3O.C31H26F2N2O2.C29H22ClF2N3O2/c1-19(37)22-4-2-5-23(15-22)28-6-3-11-35-32(28)30(14-20-12-25(33)17-26(34)13-20)36-31(39)16-24-8-7-21-9-10-27(38)18-29(21)24;32-27-8-6-19(13-26(27)31(35)40)24-2-1-9-36-30(24)28(12-17-10-21(33)15-22(34)11-17)37-29(39)14-20-4-3-18-5-7-23(38)16-25(18)20;1-17-4-6-19(7-5-17)23-3-2-10-38-29(23)27(13-18-11-21(33)14-22(34)12-18)40-30(41)28(31(35,36)37)25-16-39-26-9-8-20(32)15-24(25)26;1-19-4-2-5-22(12-19)27-6-3-11-34-31(27)29(15-20-13-24(32)17-25(33)14-20)35-30(37)16-23-8-7-21-9-10-26(36)18-28(21)23;30-21-8-5-18(6-9-21)24-2-1-11-33-29(24)25(14-17-12-22(31)16-23(32)13-17)34-27(37)15-20-4-3-19-7-10-26(36)35-28(19)20/h2-6,8-13,15,17-18,30,38H,7,14,16H2,1H3,(H,36,39);1-2,4-11,13,15-16,28,38H,3,12,14H2,(H2,35,40)(H,37,39);2-12,14-16,27-28,39H,13H2,1H3,(H,40,41);2-6,8-14,17-18,29,36H,7,15-16H2,1H3,(H,35,37);1-2,4-13,16,25H,3,14-15H2,(H,34,37)(H,35,36)/t30-;28-;27-,28?;29-;25-/m00000/s1
• InChIKey: KQMCRJOOPKLJTL-WJMOHKNGSA-N
• XLogP: 32.25
• TPSA: 379.45 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 16
• Rotatable Bonds: 37
• Heavy Atoms: 194
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2666.62
LogP ≤ 5	32.25
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[3-(3-acetylphenyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-(6-hydroxy-3H-inden-1-yl)acetamide;2-chloro-5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(6-hydroxy-3H-inden-1-yl)acetyl]amino]ethyl]-3-pyridinyl]benzamide;N-[(1S)-1-[3-(4-chlorophenyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-(2-oxo-1,5-dihydrocyclopenta[b]pyridin-7-yl)acetamide;N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(3-methylphenyl)-2-pyridinyl]ethyl]-2-(6-hydroxy-3H-inden-1-yl)acetamide;N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-methylphenyl)-2-pyridinyl]ethyl]-3,3,3-trifluoro-2-(5-fluoro-1H-indol-3-yl)propanamide?

The IUPAC name of N-[(1S)-1-[3-(3-acetylphenyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-(6-hydroxy-3H-inden-1-yl)acetamide;2-chloro-5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(6-hydroxy-3H-inden-1-yl)acetyl]amino]ethyl]-3-pyridinyl]benzamide;N-[(1S)-1-[3-(4-chlorophenyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-(2-oxo-1,5-dihydrocyclopenta[b]pyridin-7-yl)acetamide;N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(3-methylphenyl)-2-pyridinyl]ethyl]-2-(6-hydroxy-3H-inden-1-yl)acetamide;N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-methylphenyl)-2-pyridinyl]ethyl]-3,3,3-trifluoro-2-(5-fluoro-1H-indol-3-yl)propanamide (CID 159210884) is N-[(1S)-1-[3-(3-acetylphenyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-(6-hydroxy-3H-inden-1-yl)acetamide;2-chloro-5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(6-hydroxy-3H-inden-1-yl)acetyl]amino]ethyl]-3-pyridinyl]benzamide;N-[(1S)-1-[3-(4-chlorophenyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-(2-oxo-1,5-dihydrocyclopenta[b]pyridin-7-yl)acetamide;N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(3-methylphenyl)-2-pyridinyl]ethyl]-2-(6-hydroxy-3H-inden-1-yl)acetamide;N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-methylphenyl)-2-pyridinyl]ethyl]-3,3,3-trifluoro-2-(5-fluoro-1H-indol-3-yl)propanamide.

What is the SMILES notation for N-[(1S)-1-[3-(3-acetylphenyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-(6-hydroxy-3H-inden-1-yl)acetamide;2-chloro-5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(6-hydroxy-3H-inden-1-yl)acetyl]amino]ethyl]-3-pyridinyl]benzamide;N-[(1S)-1-[3-(4-chlorophenyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-(2-oxo-1,5-dihydrocyclopenta[b]pyridin-7-yl)acetamide;N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(3-methylphenyl)-2-pyridinyl]ethyl]-2-(6-hydroxy-3H-inden-1-yl)acetamide;N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-methylphenyl)-2-pyridinyl]ethyl]-3,3,3-trifluoro-2-(5-fluoro-1H-indol-3-yl)propanamide?

The canonical SMILES for N-[(1S)-1-[3-(3-acetylphenyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-(6-hydroxy-3H-inden-1-yl)acetamide;2-chloro-5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(6-hydroxy-3H-inden-1-yl)acetyl]amino]ethyl]-3-pyridinyl]benzamide;N-[(1S)-1-[3-(4-chlorophenyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-(2-oxo-1,5-dihydrocyclopenta[b]pyridin-7-yl)acetamide;N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(3-methylphenyl)-2-pyridinyl]ethyl]-2-(6-hydroxy-3H-inden-1-yl)acetamide;N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-methylphenyl)-2-pyridinyl]ethyl]-3,3,3-trifluoro-2-(5-fluoro-1H-indol-3-yl)propanamide is CC(=O)c1cccc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)CC2=CCc3ccc(O)cc32)c1.Cc1ccc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)C(c2c[nH]c3ccc(F)cc23)C(F)(F)F)cc1.Cc1cccc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)CC2=CCc3ccc(O)cc32)c1.NC(=O)c1cc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)CC2=CCc3ccc(O)cc32)ccc1Cl.O=C(CC1=CCc2ccc(=O)[nH]c21)N[C@@H](Cc1cc(F)cc(F)c1)c1ncccc1-c1ccc(Cl)cc1.

What is the InChIKey of N-[(1S)-1-[3-(3-acetylphenyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-(6-hydroxy-3H-inden-1-yl)acetamide;2-chloro-5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(6-hydroxy-3H-inden-1-yl)acetyl]amino]ethyl]-3-pyridinyl]benzamide;N-[(1S)-1-[3-(4-chlorophenyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-(2-oxo-1,5-dihydrocyclopenta[b]pyridin-7-yl)acetamide;N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(3-methylphenyl)-2-pyridinyl]ethyl]-2-(6-hydroxy-3H-inden-1-yl)acetamide;N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-methylphenyl)-2-pyridinyl]ethyl]-3,3,3-trifluoro-2-(5-fluoro-1H-indol-3-yl)propanamide?

The InChIKey is KQMCRJOOPKLJTL-WJMOHKNGSA-N. The full InChI is InChI=1S/C32H26F2N2O3.C31H24ClF2N3O3.C31H23F6N3O.C31H26F2N2O2.C29H22ClF2N3O2/c1-19(37)22-4-2-5-23(15-22)28-6-3-11-35-32(28)30(14-20-12-25(33)17-26(34)13-20)36-31(39)16-24-8-7-21-9-10-27(38)18-29(21)24;32-27-8-6-19(13-26(27)31(35)40)24-2-1-9-36-30(24)28(12-17-10-21(33)15-22(34)11-17)37-29(39)14-20-4-3-18-5-7-23(38)16-25(18)20;1-17-4-6-19(7-5-17)23-3-2-10-38-29(23)27(13-18-11-21(33)14-22(34)12-18)40-30(41)28(31(35,36)37)25-16-39-26-9-8-20(32)15-24(25)26;1-19-4-2-5-22(12-19)27-6-3-11-34-31(27)29(15-20-13-24(32)17-25(33)14-20)35-30(37)16-23-8-7-21-9-10-26(36)18-28(21)23;30-21-8-5-18(6-9-21)24-2-1-11-33-29(24)25(14-17-12-22(31)16-23(32)13-17)34-27(37)15-20-4-3-19-7-10-26(36)35-28(19)20/h2-6,8-13,15,17-18,30,38H,7,14,16H2,1H3,(H,36,39);1-2,4-11,13,15-16,28,38H,3,12,14H2,(H2,35,40)(H,37,39);2-12,14-16,27-28,39H,13H2,1H3,(H,40,41);2-6,8-14,17-18,29,36H,7,15-16H2,1H3,(H,35,37);1-2,4-13,16,25H,3,14-15H2,(H,34,37)(H,35,36)/t30-;28-;27-,28?;29-;25-/m00000/s1.

What are the key properties of N-[(1S)-1-[3-(3-acetylphenyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-(6-hydroxy-3H-inden-1-yl)acetamide;2-chloro-5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(6-hydroxy-3H-inden-1-yl)acetyl]amino]ethyl]-3-pyridinyl]benzamide;N-[(1S)-1-[3-(4-chlorophenyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-(2-oxo-1,5-dihydrocyclopenta[b]pyridin-7-yl)acetamide;N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(3-methylphenyl)-2-pyridinyl]ethyl]-2-(6-hydroxy-3H-inden-1-yl)acetamide;N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-methylphenyl)-2-pyridinyl]ethyl]-3,3,3-trifluoro-2-(5-fluoro-1H-indol-3-yl)propanamide?

N-[(1S)-1-[3-(3-acetylphenyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-(6-hydroxy-3H-inden-1-yl)acetamide;2-chloro-5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(6-hydroxy-3H-inden-1-yl)acetyl]amino]ethyl]-3-pyridinyl]benzamide;N-[(1S)-1-[3-(4-chlorophenyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-(2-oxo-1,5-dihydrocyclopenta[b]pyridin-7-yl)acetamide;N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(3-methylphenyl)-2-pyridinyl]ethyl]-2-(6-hydroxy-3H-inden-1-yl)acetamide;N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-methylphenyl)-2-pyridinyl]ethyl]-3,3,3-trifluoro-2-(5-fluoro-1H-indol-3-yl)propanamide has a molecular weight of 2666.62 g/mol, XLogP of 32.25, 37 rotatable bonds, 11 hydrogen bond donors, and 16 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-(6-hydroxy-3H-inden-1-yl)acetamide;2-chloro-5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(6-hydroxy-3H-inden-1-yl)acetyl]amino]ethyl]-3-pyridinyl]benzamide;N-[(1S)-1-[3-(4-chlorophenyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-(2-oxo-1,5-dihydrocyclopenta[b]pyridin-7-yl)acetamide;N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(3-methylphenyl)-2-pyridinyl]ethyl]-2-(6-hydroxy-3H-inden-1-yl)acetamide;N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-methylphenyl)-2-pyridinyl]ethyl]-3,3,3-trifluoro-2-(5-fluoro-1H-indol-3-yl)propanamide is sourced from PubChem (CID 159210884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).