(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[(2-chloro-4-pyridinyl)oxy]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4-(ethoxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4-(methylaminomethyl)-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;7-[(4R)-5-(3,5-difluorophenyl)-4-[5-(4-methylphenyl)pyrimidin-4-yl]-2-oxopentyl]-1,5-dihydrocyclopenta[b]pyridin-2-one

C120H100ClF17N12O10 — CID 158027177

About (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[(2-chloro-4-pyridinyl)oxy]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4-(ethoxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4-(methylaminomethyl)-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;7-[(4R)-5-(3,5-difluorophenyl)-4-[5-(4-methylphenyl)pyrimidin-4-yl]-2-oxopentyl]-1,5-dihydrocyclopenta[b]pyridin-2-one

(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[(2-chloro-4-pyridinyl)oxy]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4-(ethoxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4-(methylaminomethyl)-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;7-[(4R)-5-(3,5-difluorophenyl)-4-[5-(4-methylphenyl)pyrimidin-4-yl]-2-oxopentyl]-1,5-dihydrocyclopenta[b]pyridin-2-one (PubChem CID 158027177) has the molecular formula C120H100ClF17N12O10 and a molecular weight of 2228.61 g/mol. Its IUPAC name is (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[(2-chloro-4-pyridinyl)oxy]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4-(ethoxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4-(methylaminomethyl)-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;7-[(4R)-5-(3,5-difluorophenyl)-4-[5-(4-methylphenyl)pyrimidin-4-yl]-2-oxopentyl]-1,5-dihydrocyclopenta[b]pyridin-2-one.

Molecular Properties

• Compound Name: (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[(2-chloro-4-pyridinyl)oxy]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4-(ethoxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4-(methylaminomethyl)-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;7-[(4R)-5-(3,5-difluorophenyl)-4-[5-(4-methylphenyl)pyrimidin-4-yl]-2-oxopentyl]-1,5-dihydrocyclopenta[b]pyridin-2-one
• PubChem CID: 158027177
• Molecular Formula: C120H100ClF17N12O10
• Molecular Weight: 2228.61 g/mol
• Exact Mass: 2226.71
• IUPAC Name: (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[(2-chloro-4-pyridinyl)oxy]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4-(ethoxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4-(methylaminomethyl)-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;7-[(4R)-5-(3,5-difluorophenyl)-4-[5-(4-methylphenyl)pyrimidin-4-yl]-2-oxopentyl]-1,5-dihydrocyclopenta[b]pyridin-2-one
• SMILES: CC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)COc2ccnc(Cl)c2)Cc2cc(F)cc(F)c2)ccc1F.CCOCc1cn(CC(=O)C[C@@H](Cc2cc(F)cc(F)c2)c2ncccc2-c2ccc(F)c(C(C)=O)c2)nc1C(F)(F)F.CNCc1cn(CC(=O)C[C@@H](Cc2cc(F)cc(F)c2)c2ncccc2-c2ccc(F)c(C(C)=O)c2)nc1C(F)(F)F.Cc1ccc(-c2cncnc2[C@@H](CC(=O)CC2=CCc3ccc(=O)[nH]c32)Cc2cc(F)cc(F)c2)cc1
• InChI: InChI=1S/C31H27F6N3O3.C30H26F6N4O2.C30H25F2N3O2.C29H22ClF3N2O3/c1-3-43-17-22-15-40(39-30(22)31(35,36)37)16-25(42)12-21(9-19-10-23(32)14-24(33)11-19)29-26(5-4-8-38-29)20-6-7-28(34)27(13-20)18(2)41;1-17(41)26-12-19(5-6-27(26)33)25-4-3-7-38-28(25)20(8-18-9-22(31)13-23(32)10-18)11-24(42)16-40-15-21(14-37-2)29(39-40)30(34,35)36;1-18-2-4-20(5-3-18)27-16-33-17-34-30(27)23(10-19-11-24(31)15-25(32)12-19)14-26(36)13-22-7-6-21-8-9-28(37)35-29(21)22;1-17(36)26-13-19(4-5-27(26)33)25-3-2-7-35-29(25)20(9-18-10-21(31)14-22(32)11-18)12-23(37)16-38-24-6-8-34-28(30)15-24/h4-8,10-11,13-15,21H,3,9,12,16-17H2,1-2H3;3-7,9-10,12-13,15,20,37H,8,11,14,16H2,1-2H3;2-5,7-9,11-12,15-17,23H,6,10,13-14H2,1H3,(H,35,37);2-8,10-11,13-15,20H,9,12,16H2,1H3/t21-;20-;23-;20-/m1111/s1
• InChIKey: FGSXBSNFYCIFFL-ARSYPWISSA-N
• XLogP: 25.91
• TPSA: 295.82 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 21
• Rotatable Bonds: 41
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2228.61
LogP ≤ 5	25.91
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[(2-chloro-4-pyridinyl)oxy]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4-(ethoxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4-(methylaminomethyl)-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;7-[(4R)-5-(3,5-difluorophenyl)-4-[5-(4-methylphenyl)pyrimidin-4-yl]-2-oxopentyl]-1,5-dihydrocyclopenta[b]pyridin-2-one?

The IUPAC name of (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[(2-chloro-4-pyridinyl)oxy]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4-(ethoxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4-(methylaminomethyl)-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;7-[(4R)-5-(3,5-difluorophenyl)-4-[5-(4-methylphenyl)pyrimidin-4-yl]-2-oxopentyl]-1,5-dihydrocyclopenta[b]pyridin-2-one (CID 158027177) is (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[(2-chloro-4-pyridinyl)oxy]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4-(ethoxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4-(methylaminomethyl)-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;7-[(4R)-5-(3,5-difluorophenyl)-4-[5-(4-methylphenyl)pyrimidin-4-yl]-2-oxopentyl]-1,5-dihydrocyclopenta[b]pyridin-2-one.

What is the SMILES notation for (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[(2-chloro-4-pyridinyl)oxy]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4-(ethoxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4-(methylaminomethyl)-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;7-[(4R)-5-(3,5-difluorophenyl)-4-[5-(4-methylphenyl)pyrimidin-4-yl]-2-oxopentyl]-1,5-dihydrocyclopenta[b]pyridin-2-one?

The canonical SMILES for (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[(2-chloro-4-pyridinyl)oxy]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4-(ethoxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4-(methylaminomethyl)-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;7-[(4R)-5-(3,5-difluorophenyl)-4-[5-(4-methylphenyl)pyrimidin-4-yl]-2-oxopentyl]-1,5-dihydrocyclopenta[b]pyridin-2-one is CC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)COc2ccnc(Cl)c2)Cc2cc(F)cc(F)c2)ccc1F.CCOCc1cn(CC(=O)C[C@@H](Cc2cc(F)cc(F)c2)c2ncccc2-c2ccc(F)c(C(C)=O)c2)nc1C(F)(F)F.CNCc1cn(CC(=O)C[C@@H](Cc2cc(F)cc(F)c2)c2ncccc2-c2ccc(F)c(C(C)=O)c2)nc1C(F)(F)F.Cc1ccc(-c2cncnc2[C@@H](CC(=O)CC2=CCc3ccc(=O)[nH]c32)Cc2cc(F)cc(F)c2)cc1.

What is the InChIKey of (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[(2-chloro-4-pyridinyl)oxy]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4-(ethoxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4-(methylaminomethyl)-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;7-[(4R)-5-(3,5-difluorophenyl)-4-[5-(4-methylphenyl)pyrimidin-4-yl]-2-oxopentyl]-1,5-dihydrocyclopenta[b]pyridin-2-one?

The InChIKey is FGSXBSNFYCIFFL-ARSYPWISSA-N. The full InChI is InChI=1S/C31H27F6N3O3.C30H26F6N4O2.C30H25F2N3O2.C29H22ClF3N2O3/c1-3-43-17-22-15-40(39-30(22)31(35,36)37)16-25(42)12-21(9-19-10-23(32)14-24(33)11-19)29-26(5-4-8-38-29)20-6-7-28(34)27(13-20)18(2)41;1-17(41)26-12-19(5-6-27(26)33)25-4-3-7-38-28(25)20(8-18-9-22(31)13-23(32)10-18)11-24(42)16-40-15-21(14-37-2)29(39-40)30(34,35)36;1-18-2-4-20(5-3-18)27-16-33-17-34-30(27)23(10-19-11-24(31)15-25(32)12-19)14-26(36)13-22-7-6-21-8-9-28(37)35-29(21)22;1-17(36)26-13-19(4-5-27(26)33)25-3-2-7-35-29(25)20(9-18-10-21(31)14-22(32)11-18)12-23(37)16-38-24-6-8-34-28(30)15-24/h4-8,10-11,13-15,21H,3,9,12,16-17H2,1-2H3;3-7,9-10,12-13,15,20,37H,8,11,14,16H2,1-2H3;2-5,7-9,11-12,15-17,23H,6,10,13-14H2,1H3,(H,35,37);2-8,10-11,13-15,20H,9,12,16H2,1H3/t21-;20-;23-;20-/m1111/s1.

What are the key properties of (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[(2-chloro-4-pyridinyl)oxy]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4-(ethoxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4-(methylaminomethyl)-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;7-[(4R)-5-(3,5-difluorophenyl)-4-[5-(4-methylphenyl)pyrimidin-4-yl]-2-oxopentyl]-1,5-dihydrocyclopenta[b]pyridin-2-one?

(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[(2-chloro-4-pyridinyl)oxy]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4-(ethoxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4-(methylaminomethyl)-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;7-[(4R)-5-(3,5-difluorophenyl)-4-[5-(4-methylphenyl)pyrimidin-4-yl]-2-oxopentyl]-1,5-dihydrocyclopenta[b]pyridin-2-one has a molecular weight of 2228.61 g/mol, XLogP of 25.91, 41 rotatable bonds, 2 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[(2-chloro-4-pyridinyl)oxy]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4-(ethoxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4-(methylaminomethyl)-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;7-[(4R)-5-(3,5-difluorophenyl)-4-[5-(4-methylphenyl)pyrimidin-4-yl]-2-oxopentyl]-1,5-dihydrocyclopenta[b]pyridin-2-one is sourced from PubChem (CID 158027177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).