(4R)-4-[3-(3-acetyl-4-chlorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)pentan-2-one;(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)pentan-2-one;(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

C129H106ClF8N5O10 — CID 158661287

About (4R)-4-[3-(3-acetyl-4-chlorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)pentan-2-one;(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)pentan-2-one;(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-acetyl-4-chlorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)pentan-2-one;(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)pentan-2-one;(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 158661287) has the molecular formula C129H106ClF8N5O10 and a molecular weight of 2073.73 g/mol. Its IUPAC name is (4R)-4-[3-(3-acetyl-4-chlorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)pentan-2-one;(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)pentan-2-one;(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-acetyl-4-chlorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)pentan-2-one;(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)pentan-2-one;(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: 158661287
• Molecular Formula: C129H106ClF8N5O10
• Molecular Weight: 2073.73 g/mol
• Exact Mass: 2071.75
• IUPAC Name: (4R)-4-[3-(3-acetyl-4-chlorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)pentan-2-one;(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)pentan-2-one;(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)c1cc(-c2cccnc2[C@@H](CC(=O)CC2=CCc3ccc(O)cc32)Cc2cc(F)cc(F)c2)ccc1Cl.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
• InChI: InChI=1S/C33H26ClF2NO3.C33H27F2NO3.C32H27F2NO2.C31H26F2N2O2/c1-19(38)30-16-23(7-9-32(30)34)29-3-2-10-37-33(29)24(11-20-12-25(35)17-26(36)13-20)15-28(40)14-22-5-4-21-6-8-27(39)18-31(21)22;1-20(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/h2-3,5-10,12-13,16-18,24,39H,4,11,14-15H2,1H3;2-6,8-11,13-15,18-19,26,38H,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)/t24-;26-;25-;24-/m1111/s1
• InChIKey: ICUFOUCETXJTCN-IWACJJMYSA-N
• XLogP: 28.85
• TPSA: 247.53 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 14
• Rotatable Bonds: 34
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2073.73
LogP ≤ 5	28.85
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[3-(3-acetyl-4-chlorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)pentan-2-one;(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)pentan-2-one;(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-acetyl-4-chlorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)pentan-2-one;(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)pentan-2-one;(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 158661287) is (4R)-4-[3-(3-acetyl-4-chlorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)pentan-2-one;(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)pentan-2-one;(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-acetyl-4-chlorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)pentan-2-one;(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)pentan-2-one;(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-acetyl-4-chlorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)pentan-2-one;(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)pentan-2-one;(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)c1cc(-c2cccnc2[C@@H](CC(=O)CC2=CCc3ccc(O)cc32)Cc2cc(F)cc(F)c2)ccc1Cl.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.

What is the InChIKey of (4R)-4-[3-(3-acetyl-4-chlorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)pentan-2-one;(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)pentan-2-one;(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 ICUFOUCETXJTCN-IWACJJMYSA-N. The full InChI is InChI=1S/C33H26ClF2NO3.C33H27F2NO3.C32H27F2NO2.C31H26F2N2O2/c1-19(38)30-16-23(7-9-32(30)34)29-3-2-10-37-33(29)24(11-20-12-25(35)17-26(36)13-20)15-28(40)14-22-5-4-21-6-8-27(39)18-31(21)22;1-20(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/h2-3,5-10,12-13,16-18,24,39H,4,11,14-15H2,1H3;2-6,8-11,13-15,18-19,26,38H,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)/t24-;26-;25-;24-/m1111/s1.

What are the key properties of (4R)-4-[3-(3-acetyl-4-chlorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)pentan-2-one;(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)pentan-2-one;(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-acetyl-4-chlorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)pentan-2-one;(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)pentan-2-one;(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 2073.73 g/mol, XLogP of 28.85, 34 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-4-[3-(3-acetyl-4-chlorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)pentan-2-one;(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)pentan-2-one;(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 158661287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).