(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[6,6-difluoro-3-(trifluoromethyl)-4,5-dihydrocyclopenta[d]pyrazol-1-yl]pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4-(3,3-dimethylbut-1-ynyl)-5-ethyl-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;3-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentoxy]cyclohexa-2,4-dien-1-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-(trifluoromethyl)-4,5-dihydrocyclopenta[d]pyrazol-6-one

C128H103F23N10O11 — CID 158804949

About (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[6,6-difluoro-3-(trifluoromethyl)-4,5-dihydrocyclopenta[d]pyrazol-1-yl]pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4-(3,3-dimethylbut-1-ynyl)-5-ethyl-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;3-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentoxy]cyclohexa-2,4-dien-1-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-(trifluoromethyl)-4,5-dihydrocyclopenta[d]pyrazol-6-one

(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[6,6-difluoro-3-(trifluoromethyl)-4,5-dihydrocyclopenta[d]pyrazol-1-yl]pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4-(3,3-dimethylbut-1-ynyl)-5-ethyl-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;3-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentoxy]cyclohexa-2,4-dien-1-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-(trifluoromethyl)-4,5-dihydrocyclopenta[d]pyrazol-6-one (PubChem CID 158804949) has the molecular formula C128H103F23N10O11 and a molecular weight of 2394.24 g/mol. Its IUPAC name is (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[6,6-difluoro-3-(trifluoromethyl)-4,5-dihydrocyclopenta[d]pyrazol-1-yl]pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4-(3,3-dimethylbut-1-ynyl)-5-ethyl-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;3-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentoxy]cyclohexa-2,4-dien-1-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-(trifluoromethyl)-4,5-dihydrocyclopenta[d]pyrazol-6-one.

Molecular Properties

• Compound Name: (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[6,6-difluoro-3-(trifluoromethyl)-4,5-dihydrocyclopenta[d]pyrazol-1-yl]pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4-(3,3-dimethylbut-1-ynyl)-5-ethyl-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;3-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentoxy]cyclohexa-2,4-dien-1-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-(trifluoromethyl)-4,5-dihydrocyclopenta[d]pyrazol-6-one
• PubChem CID: 158804949
• Molecular Formula: C128H103F23N10O11
• Molecular Weight: 2394.24 g/mol
• Exact Mass: 2392.74
• IUPAC Name: (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[6,6-difluoro-3-(trifluoromethyl)-4,5-dihydrocyclopenta[d]pyrazol-1-yl]pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4-(3,3-dimethylbut-1-ynyl)-5-ethyl-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;3-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentoxy]cyclohexa-2,4-dien-1-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-(trifluoromethyl)-4,5-dihydrocyclopenta[d]pyrazol-6-one
• SMILES: CC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)COC2=CC(=O)CC=C2)Cc2cc(F)cc(F)c2)ccc1F.CC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2nc(C(F)(F)F)c3c2C(=O)CC3)Cc2cc(F)cc(F)c2)ccc1F.CC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2nc(C(F)(F)F)c3c2C(F)(F)CC3)Cc2cc(F)cc(F)c2)ccc1F.CCc1c(C#CC(C)(C)C)c(C(F)(F)F)nn1CC(=O)C[C@@H](Cc1cc(F)cc(F)c1)c1ncccc1-c1ccc(F)c(C(C)=O)c1
• InChI: InChI=1S/C36H33F6N3O2.C31H23F8N3O2.C31H23F6N3O3.C30H24F3NO4/c1-6-32-29(11-12-35(3,4)5)34(36(40,41)42)44-45(32)20-27(47)17-24(14-22-15-25(37)19-26(38)16-22)33-28(8-7-13-43-33)23-9-10-31(39)30(18-23)21(2)46;1-16(43)25-13-18(4-5-26(25)34)23-3-2-8-40-27(23)19(9-17-10-20(32)14-21(33)11-17)12-22(44)15-42-29-24(6-7-30(29,35)36)28(41-42)31(37,38)39;1-16(41)25-13-18(4-6-26(25)34)23-3-2-8-38-28(23)19(9-17-10-20(32)14-21(33)11-17)12-22(42)15-40-29-24(5-7-27(29)43)30(39-40)31(35,36)37;1-18(35)28-14-20(7-8-29(28)33)27-6-3-9-34-30(27)21(10-19-11-22(31)15-23(32)12-19)13-25(37)17-38-26-5-2-4-24(36)16-26/h7-10,13,15-16,18-19,24H,6,14,17,20H2,1-5H3;2-5,8,10-11,13-14,19H,6-7,9,12,15H2,1H3;2-4,6,8,10-11,13-14,19H,5,7,9,12,15H2,1H3;2-3,5-9,11-12,14-16,21H,4,10,13,17H2,1H3/t24-;2*19-;21-/m1111/s1
• InChIKey: ITYNHFGMONIMDS-SYZZHUCPSA-N
• XLogP: 28.92
• TPSA: 284.95 Ų
• H-Bond Acceptors: 21
• Rotatable Bonds: 38
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2394.24
LogP ≤ 5	28.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[6,6-difluoro-3-(trifluoromethyl)-4,5-dihydrocyclopenta[d]pyrazol-1-yl]pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4-(3,3-dimethylbut-1-ynyl)-5-ethyl-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;3-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentoxy]cyclohexa-2,4-dien-1-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-(trifluoromethyl)-4,5-dihydrocyclopenta[d]pyrazol-6-one?

The IUPAC name of (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[6,6-difluoro-3-(trifluoromethyl)-4,5-dihydrocyclopenta[d]pyrazol-1-yl]pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4-(3,3-dimethylbut-1-ynyl)-5-ethyl-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;3-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentoxy]cyclohexa-2,4-dien-1-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-(trifluoromethyl)-4,5-dihydrocyclopenta[d]pyrazol-6-one (CID 158804949) is (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[6,6-difluoro-3-(trifluoromethyl)-4,5-dihydrocyclopenta[d]pyrazol-1-yl]pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4-(3,3-dimethylbut-1-ynyl)-5-ethyl-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;3-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentoxy]cyclohexa-2,4-dien-1-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-(trifluoromethyl)-4,5-dihydrocyclopenta[d]pyrazol-6-one.

What is the SMILES notation for (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[6,6-difluoro-3-(trifluoromethyl)-4,5-dihydrocyclopenta[d]pyrazol-1-yl]pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4-(3,3-dimethylbut-1-ynyl)-5-ethyl-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;3-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentoxy]cyclohexa-2,4-dien-1-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-(trifluoromethyl)-4,5-dihydrocyclopenta[d]pyrazol-6-one?

The canonical SMILES for (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[6,6-difluoro-3-(trifluoromethyl)-4,5-dihydrocyclopenta[d]pyrazol-1-yl]pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4-(3,3-dimethylbut-1-ynyl)-5-ethyl-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;3-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentoxy]cyclohexa-2,4-dien-1-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-(trifluoromethyl)-4,5-dihydrocyclopenta[d]pyrazol-6-one is CC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)COC2=CC(=O)CC=C2)Cc2cc(F)cc(F)c2)ccc1F.CC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2nc(C(F)(F)F)c3c2C(=O)CC3)Cc2cc(F)cc(F)c2)ccc1F.CC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2nc(C(F)(F)F)c3c2C(F)(F)CC3)Cc2cc(F)cc(F)c2)ccc1F.CCc1c(C#CC(C)(C)C)c(C(F)(F)F)nn1CC(=O)C[C@@H](Cc1cc(F)cc(F)c1)c1ncccc1-c1ccc(F)c(C(C)=O)c1.

What is the InChIKey of (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[6,6-difluoro-3-(trifluoromethyl)-4,5-dihydrocyclopenta[d]pyrazol-1-yl]pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4-(3,3-dimethylbut-1-ynyl)-5-ethyl-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;3-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentoxy]cyclohexa-2,4-dien-1-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-(trifluoromethyl)-4,5-dihydrocyclopenta[d]pyrazol-6-one?

The InChIKey is ITYNHFGMONIMDS-SYZZHUCPSA-N. The full InChI is InChI=1S/C36H33F6N3O2.C31H23F8N3O2.C31H23F6N3O3.C30H24F3NO4/c1-6-32-29(11-12-35(3,4)5)34(36(40,41)42)44-45(32)20-27(47)17-24(14-22-15-25(37)19-26(38)16-22)33-28(8-7-13-43-33)23-9-10-31(39)30(18-23)21(2)46;1-16(43)25-13-18(4-5-26(25)34)23-3-2-8-40-27(23)19(9-17-10-20(32)14-21(33)11-17)12-22(44)15-42-29-24(6-7-30(29,35)36)28(41-42)31(37,38)39;1-16(41)25-13-18(4-6-26(25)34)23-3-2-8-38-28(23)19(9-17-10-20(32)14-21(33)11-17)12-22(42)15-40-29-24(5-7-27(29)43)30(39-40)31(35,36)37;1-18(35)28-14-20(7-8-29(28)33)27-6-3-9-34-30(27)21(10-19-11-22(31)15-23(32)12-19)13-25(37)17-38-26-5-2-4-24(36)16-26/h7-10,13,15-16,18-19,24H,6,14,17,20H2,1-5H3;2-5,8,10-11,13-14,19H,6-7,9,12,15H2,1H3;2-4,6,8,10-11,13-14,19H,5,7,9,12,15H2,1H3;2-3,5-9,11-12,14-16,21H,4,10,13,17H2,1H3/t24-;2*19-;21-/m1111/s1.

What are the key properties of (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[6,6-difluoro-3-(trifluoromethyl)-4,5-dihydrocyclopenta[d]pyrazol-1-yl]pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4-(3,3-dimethylbut-1-ynyl)-5-ethyl-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;3-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentoxy]cyclohexa-2,4-dien-1-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-(trifluoromethyl)-4,5-dihydrocyclopenta[d]pyrazol-6-one?

(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[6,6-difluoro-3-(trifluoromethyl)-4,5-dihydrocyclopenta[d]pyrazol-1-yl]pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4-(3,3-dimethylbut-1-ynyl)-5-ethyl-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;3-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentoxy]cyclohexa-2,4-dien-1-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-(trifluoromethyl)-4,5-dihydrocyclopenta[d]pyrazol-6-one has a molecular weight of 2394.24 g/mol, XLogP of 28.92, 38 rotatable bonds, 0 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]-5-(3,5-difluorophenyl)-1-[6,6-difluoro-3-(trifluoromethyl)-4,5-dihydrocyclopenta[d]pyrazol-1-yl]pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4-(3,3-dimethylbut-1-ynyl)-5-ethyl-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;3-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentoxy]cyclohexa-2,4-dien-1-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-(trifluoromethyl)-4,5-dihydrocyclopenta[d]pyrazol-6-one is sourced from PubChem (CID 158804949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).