(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)pentan-2-one;(2S)-N-[(1S)-1-[3-(4-chlorophenyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-3,3,3-trifluoro-2-(5-fluoro-1H-indol-3-yl)propanamide;(4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(3-methylphenyl)-2-pyridinyl]pentan-2-one;7-[(4R)-5-(3,5-difluorophenyl)-4-[3-(4-methylphenyl)-2-pyridinyl]-2-oxopentyl]-1,5-dihydrocyclopenta[b]pyridin-2-one

C126H100ClF12N7O8 — CID 157126915

About (4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)pentan-2-one;(2S)-N-[(1S)-1-[3-(4-chlorophenyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-3,3,3-trifluoro-2-(5-fluoro-1H-indol-3-yl)propanamide;(4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(3-methylphenyl)-2-pyridinyl]pentan-2-one;7-[(4R)-5-(3,5-difluorophenyl)-4-[3-(4-methylphenyl)-2-pyridinyl]-2-oxopentyl]-1,5-dihydrocyclopenta[b]pyridin-2-one

(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)pentan-2-one;(2S)-N-[(1S)-1-[3-(4-chlorophenyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-3,3,3-trifluoro-2-(5-fluoro-1H-indol-3-yl)propanamide;(4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(3-methylphenyl)-2-pyridinyl]pentan-2-one;7-[(4R)-5-(3,5-difluorophenyl)-4-[3-(4-methylphenyl)-2-pyridinyl]-2-oxopentyl]-1,5-dihydrocyclopenta[b]pyridin-2-one (PubChem CID 157126915) has the molecular formula C126H100ClF12N7O8 and a molecular weight of 2103.66 g/mol. Its IUPAC name is (4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)pentan-2-one;(2S)-N-[(1S)-1-[3-(4-chlorophenyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-3,3,3-trifluoro-2-(5-fluoro-1H-indol-3-yl)propanamide;(4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(3-methylphenyl)-2-pyridinyl]pentan-2-one;7-[(4R)-5-(3,5-difluorophenyl)-4-[3-(4-methylphenyl)-2-pyridinyl]-2-oxopentyl]-1,5-dihydrocyclopenta[b]pyridin-2-one.

Molecular Properties

• Compound Name: (4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)pentan-2-one;(2S)-N-[(1S)-1-[3-(4-chlorophenyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-3,3,3-trifluoro-2-(5-fluoro-1H-indol-3-yl)propanamide;(4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(3-methylphenyl)-2-pyridinyl]pentan-2-one;7-[(4R)-5-(3,5-difluorophenyl)-4-[3-(4-methylphenyl)-2-pyridinyl]-2-oxopentyl]-1,5-dihydrocyclopenta[b]pyridin-2-one
• PubChem CID: 157126915
• Molecular Formula: C126H100ClF12N7O8
• Molecular Weight: 2103.66 g/mol
• Exact Mass: 2101.71
• IUPAC Name: (4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)pentan-2-one;(2S)-N-[(1S)-1-[3-(4-chlorophenyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-3,3,3-trifluoro-2-(5-fluoro-1H-indol-3-yl)propanamide;(4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(3-methylphenyl)-2-pyridinyl]pentan-2-one;7-[(4R)-5-(3,5-difluorophenyl)-4-[3-(4-methylphenyl)-2-pyridinyl]-2-oxopentyl]-1,5-dihydrocyclopenta[b]pyridin-2-one
• SMILES: CC(=O)c1cccc(-c2cccnc2[C@@H](CC(=O)CC2=CCc3ccc(O)cc32)Cc2cc(F)cc(F)c2)c1.Cc1ccc(-c2cccnc2[C@@H](CC(=O)CC2=CCc3ccc(=O)[nH]c32)Cc2cc(F)cc(F)c2)cc1.Cc1cccc(-c2cccnc2[C@@H](CC(=O)CC2=CCc3ccc(O)cc32)Cc2cc(F)cc(F)c2)c1.O=C(N[C@@H](Cc1cc(F)cc(F)c1)c1ncccc1-c1ccc(Cl)cc1)[C@H](c1c[nH]c2ccc(F)cc12)C(F)(F)F
• InChI: InChI=1S/C33H27F2NO3.C32H27F2NO2.C31H26F2N2O2.C30H20ClF6N3O/c1-20(37)23-4-2-5-24(15-23)31-6-3-11-36-33(31)26(12-21-13-27(34)18-28(35)14-21)17-30(39)16-25-8-7-22-9-10-29(38)19-32(22)25;1-20-4-2-5-23(12-20)30-6-3-11-35-32(30)25(13-21-14-26(33)18-27(34)15-21)17-29(37)16-24-8-7-22-9-10-28(36)19-31(22)24;1-19-4-6-21(7-5-19)28-3-2-12-34-31(28)24(13-20-14-25(32)18-26(33)15-20)17-27(36)16-23-9-8-22-10-11-29(37)35-30(22)23;31-18-5-3-17(4-6-18)22-2-1-9-38-28(22)26(12-16-10-20(33)13-21(34)11-16)40-29(41)27(30(35,36)37)24-15-39-25-8-7-19(32)14-23(24)25/h2-6,8-11,13-15,18-19,26,38H,7,12,16-17H2,1H3;2-6,8-12,14-15,18-19,25,36H,7,13,16-17H2,1H3;2-7,9-12,14-15,18,24H,8,13,16-17H2,1H3,(H,35,37);1-11,13-15,26-27,39H,12H2,(H,40,41)/t26-;25-;24-;26-,27-/m1110/s1
• InChIKey: AIPNTOLTKUTAGU-KNOBTCCWSA-N
• XLogP: 28.99
• TPSA: 238.05 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 12
• Rotatable Bonds: 32
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2103.66
LogP ≤ 5	28.99
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

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

The IUPAC name of (4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)pentan-2-one;(2S)-N-[(1S)-1-[3-(4-chlorophenyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-3,3,3-trifluoro-2-(5-fluoro-1H-indol-3-yl)propanamide;(4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(3-methylphenyl)-2-pyridinyl]pentan-2-one;7-[(4R)-5-(3,5-difluorophenyl)-4-[3-(4-methylphenyl)-2-pyridinyl]-2-oxopentyl]-1,5-dihydrocyclopenta[b]pyridin-2-one (CID 157126915) is (4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)pentan-2-one;(2S)-N-[(1S)-1-[3-(4-chlorophenyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-3,3,3-trifluoro-2-(5-fluoro-1H-indol-3-yl)propanamide;(4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(3-methylphenyl)-2-pyridinyl]pentan-2-one;7-[(4R)-5-(3,5-difluorophenyl)-4-[3-(4-methylphenyl)-2-pyridinyl]-2-oxopentyl]-1,5-dihydrocyclopenta[b]pyridin-2-one.

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

The canonical SMILES for (4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)pentan-2-one;(2S)-N-[(1S)-1-[3-(4-chlorophenyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-3,3,3-trifluoro-2-(5-fluoro-1H-indol-3-yl)propanamide;(4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(3-methylphenyl)-2-pyridinyl]pentan-2-one;7-[(4R)-5-(3,5-difluorophenyl)-4-[3-(4-methylphenyl)-2-pyridinyl]-2-oxopentyl]-1,5-dihydrocyclopenta[b]pyridin-2-one is CC(=O)c1cccc(-c2cccnc2[C@@H](CC(=O)CC2=CCc3ccc(O)cc32)Cc2cc(F)cc(F)c2)c1.Cc1ccc(-c2cccnc2[C@@H](CC(=O)CC2=CCc3ccc(=O)[nH]c32)Cc2cc(F)cc(F)c2)cc1.Cc1cccc(-c2cccnc2[C@@H](CC(=O)CC2=CCc3ccc(O)cc32)Cc2cc(F)cc(F)c2)c1.O=C(N[C@@H](Cc1cc(F)cc(F)c1)c1ncccc1-c1ccc(Cl)cc1)[C@H](c1c[nH]c2ccc(F)cc12)C(F)(F)F.

What is the InChIKey of (4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)pentan-2-one;(2S)-N-[(1S)-1-[3-(4-chlorophenyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-3,3,3-trifluoro-2-(5-fluoro-1H-indol-3-yl)propanamide;(4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(3-methylphenyl)-2-pyridinyl]pentan-2-one;7-[(4R)-5-(3,5-difluorophenyl)-4-[3-(4-methylphenyl)-2-pyridinyl]-2-oxopentyl]-1,5-dihydrocyclopenta[b]pyridin-2-one?

The InChIKey is AIPNTOLTKUTAGU-KNOBTCCWSA-N. The full InChI is InChI=1S/C33H27F2NO3.C32H27F2NO2.C31H26F2N2O2.C30H20ClF6N3O/c1-20(37)23-4-2-5-24(15-23)31-6-3-11-36-33(31)26(12-21-13-27(34)18-28(35)14-21)17-30(39)16-25-8-7-22-9-10-29(38)19-32(22)25;1-20-4-2-5-23(12-20)30-6-3-11-35-32(30)25(13-21-14-26(33)18-27(34)15-21)17-29(37)16-24-8-7-22-9-10-28(36)19-31(22)24;1-19-4-6-21(7-5-19)28-3-2-12-34-31(28)24(13-20-14-25(32)18-26(33)15-20)17-27(36)16-23-9-8-22-10-11-29(37)35-30(22)23;31-18-5-3-17(4-6-18)22-2-1-9-38-28(22)26(12-16-10-20(33)13-21(34)11-16)40-29(41)27(30(35,36)37)24-15-39-25-8-7-19(32)14-23(24)25/h2-6,8-11,13-15,18-19,26,38H,7,12,16-17H2,1H3;2-6,8-12,14-15,18-19,25,36H,7,13,16-17H2,1H3;2-7,9-12,14-15,18,24H,8,13,16-17H2,1H3,(H,35,37);1-11,13-15,26-27,39H,12H2,(H,40,41)/t26-;25-;24-;26-,27-/m1110/s1.

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

(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)pentan-2-one;(2S)-N-[(1S)-1-[3-(4-chlorophenyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-3,3,3-trifluoro-2-(5-fluoro-1H-indol-3-yl)propanamide;(4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(3-methylphenyl)-2-pyridinyl]pentan-2-one;7-[(4R)-5-(3,5-difluorophenyl)-4-[3-(4-methylphenyl)-2-pyridinyl]-2-oxopentyl]-1,5-dihydrocyclopenta[b]pyridin-2-one has a molecular weight of 2103.66 g/mol, XLogP of 28.99, 32 rotatable bonds, 5 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)pentan-2-one;(2S)-N-[(1S)-1-[3-(4-chlorophenyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-3,3,3-trifluoro-2-(5-fluoro-1H-indol-3-yl)propanamide;(4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(3-methylphenyl)-2-pyridinyl]pentan-2-one;7-[(4R)-5-(3,5-difluorophenyl)-4-[3-(4-methylphenyl)-2-pyridinyl]-2-oxopentyl]-1,5-dihydrocyclopenta[b]pyridin-2-one is sourced from PubChem (CID 157126915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).