[5-(3-acetyl-4-fluorophenyl)-6-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-2-pyridinyl] acetate;1-[5-(3-acetyl-4-fluorophenyl)-4-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]pyrimidin-2-yl]piperidin-4-one;(4R)-4-[5-(3-acetyl-4-fluorophenyl)-2-(4-hydroxypiperidin-1-yl)pyrimidin-4-yl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one

C106H88F27N13O10 — CID 161468887

About [5-(3-acetyl-4-fluorophenyl)-6-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-2-pyridinyl] acetate;1-[5-(3-acetyl-4-fluorophenyl)-4-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]pyrimidin-2-yl]piperidin-4-one;(4R)-4-[5-(3-acetyl-4-fluorophenyl)-2-(4-hydroxypiperidin-1-yl)pyrimidin-4-yl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one

[5-(3-acetyl-4-fluorophenyl)-6-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-2-pyridinyl] acetate;1-[5-(3-acetyl-4-fluorophenyl)-4-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]pyrimidin-2-yl]piperidin-4-one;(4R)-4-[5-(3-acetyl-4-fluorophenyl)-2-(4-hydroxypiperidin-1-yl)pyrimidin-4-yl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one (PubChem CID 161468887) has the molecular formula C106H88F27N13O10 and a molecular weight of 2216.90 g/mol. Its IUPAC name is [5-(3-acetyl-4-fluorophenyl)-6-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-2-pyridinyl] acetate;1-[5-(3-acetyl-4-fluorophenyl)-4-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]pyrimidin-2-yl]piperidin-4-one;(4R)-4-[5-(3-acetyl-4-fluorophenyl)-2-(4-hydroxypiperidin-1-yl)pyrimidin-4-yl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one.

Molecular Properties

• Compound Name: [5-(3-acetyl-4-fluorophenyl)-6-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-2-pyridinyl] acetate;1-[5-(3-acetyl-4-fluorophenyl)-4-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]pyrimidin-2-yl]piperidin-4-one;(4R)-4-[5-(3-acetyl-4-fluorophenyl)-2-(4-hydroxypiperidin-1-yl)pyrimidin-4-yl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one
• PubChem CID: 161468887
• Molecular Formula: C106H88F27N13O10
• Molecular Weight: 2216.90 g/mol
• Exact Mass: 2215.63
• IUPAC Name: [5-(3-acetyl-4-fluorophenyl)-6-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-2-pyridinyl] acetate;1-[5-(3-acetyl-4-fluorophenyl)-4-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]pyrimidin-2-yl]piperidin-4-one;(4R)-4-[5-(3-acetyl-4-fluorophenyl)-2-(4-hydroxypiperidin-1-yl)pyrimidin-4-yl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one
• SMILES: CC(=O)Oc1ccc(-c2ccc(F)c(C(C)=O)c2)c([C@@H](CC(=O)Cn2nc(C(F)F)c3c2C(F)(F)CCC3(F)F)Cc2cc(F)cc(F)c2)n1.CC(=O)c1cc(-c2cnc(N3CCC(=O)CC3)nc2[C@@H](CC(=O)Cn2nc(C(F)F)c3c2C(F)(F)CCC3(F)F)Cc2cc(F)cc(F)c2)ccc1F.CC(=O)c1cc(-c2cnc(N3CCC(O)CC3)nc2[C@@H](CC(=O)Cn2nc(C(F)F)c3c2C(F)(F)CCC3(F)F)Cc2cc(F)cc(F)c2)ccc1F
• InChI: InChI=1S/C36H32F9N5O3.C36H30F9N5O3.C34H26F9N3O4/c2*1-18(51)26-14-20(2-3-28(26)39)27-16-46-34(49-8-4-24(52)5-9-49)47-30(27)21(10-19-11-22(37)15-23(38)12-19)13-25(53)17-50-32-29(31(48-50)33(40)41)35(42,43)6-7-36(32,44)45;1-16(47)25-13-19(3-5-26(25)37)24-4-6-27(50-17(2)48)44-29(24)20(9-18-10-21(35)14-22(36)11-18)12-23(49)15-46-31-28(30(45-46)32(38)39)33(40,41)7-8-34(31,42)43/h2-3,11-12,14-16,21,24,33,52H,4-10,13,17H2,1H3;2-3,11-12,14-16,21,33H,4-10,13,17H2,1H3;3-6,10-11,13-14,20,32H,7-9,12,15H2,1-2H3/t2*21-;20-/m111/s1
• InChIKey: WCUOVRJUOQBTBH-BFFXDWNNSA-N
• XLogP: 24.24
• TPSA: 290.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 23
• Rotatable Bonds: 33
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2216.90
LogP ≤ 5	24.24
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of [5-(3-acetyl-4-fluorophenyl)-6-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-2-pyridinyl] acetate;1-[5-(3-acetyl-4-fluorophenyl)-4-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]pyrimidin-2-yl]piperidin-4-one;(4R)-4-[5-(3-acetyl-4-fluorophenyl)-2-(4-hydroxypiperidin-1-yl)pyrimidin-4-yl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one?

The IUPAC name of [5-(3-acetyl-4-fluorophenyl)-6-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-2-pyridinyl] acetate;1-[5-(3-acetyl-4-fluorophenyl)-4-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]pyrimidin-2-yl]piperidin-4-one;(4R)-4-[5-(3-acetyl-4-fluorophenyl)-2-(4-hydroxypiperidin-1-yl)pyrimidin-4-yl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one (CID 161468887) is [5-(3-acetyl-4-fluorophenyl)-6-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-2-pyridinyl] acetate;1-[5-(3-acetyl-4-fluorophenyl)-4-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]pyrimidin-2-yl]piperidin-4-one;(4R)-4-[5-(3-acetyl-4-fluorophenyl)-2-(4-hydroxypiperidin-1-yl)pyrimidin-4-yl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one.

What is the SMILES notation for [5-(3-acetyl-4-fluorophenyl)-6-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-2-pyridinyl] acetate;1-[5-(3-acetyl-4-fluorophenyl)-4-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]pyrimidin-2-yl]piperidin-4-one;(4R)-4-[5-(3-acetyl-4-fluorophenyl)-2-(4-hydroxypiperidin-1-yl)pyrimidin-4-yl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one?

The canonical SMILES for [5-(3-acetyl-4-fluorophenyl)-6-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-2-pyridinyl] acetate;1-[5-(3-acetyl-4-fluorophenyl)-4-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]pyrimidin-2-yl]piperidin-4-one;(4R)-4-[5-(3-acetyl-4-fluorophenyl)-2-(4-hydroxypiperidin-1-yl)pyrimidin-4-yl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one is CC(=O)Oc1ccc(-c2ccc(F)c(C(C)=O)c2)c([C@@H](CC(=O)Cn2nc(C(F)F)c3c2C(F)(F)CCC3(F)F)Cc2cc(F)cc(F)c2)n1.CC(=O)c1cc(-c2cnc(N3CCC(=O)CC3)nc2[C@@H](CC(=O)Cn2nc(C(F)F)c3c2C(F)(F)CCC3(F)F)Cc2cc(F)cc(F)c2)ccc1F.CC(=O)c1cc(-c2cnc(N3CCC(O)CC3)nc2[C@@H](CC(=O)Cn2nc(C(F)F)c3c2C(F)(F)CCC3(F)F)Cc2cc(F)cc(F)c2)ccc1F.

What is the InChIKey of [5-(3-acetyl-4-fluorophenyl)-6-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-2-pyridinyl] acetate;1-[5-(3-acetyl-4-fluorophenyl)-4-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]pyrimidin-2-yl]piperidin-4-one;(4R)-4-[5-(3-acetyl-4-fluorophenyl)-2-(4-hydroxypiperidin-1-yl)pyrimidin-4-yl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one?

The InChIKey is WCUOVRJUOQBTBH-BFFXDWNNSA-N. The full InChI is InChI=1S/C36H32F9N5O3.C36H30F9N5O3.C34H26F9N3O4/c2*1-18(51)26-14-20(2-3-28(26)39)27-16-46-34(49-8-4-24(52)5-9-49)47-30(27)21(10-19-11-22(37)15-23(38)12-19)13-25(53)17-50-32-29(31(48-50)33(40)41)35(42,43)6-7-36(32,44)45;1-16(47)25-13-19(3-5-26(25)37)24-4-6-27(50-17(2)48)44-29(24)20(9-18-10-21(35)14-22(36)11-18)12-23(49)15-46-31-28(30(45-46)32(38)39)33(40,41)7-8-34(31,42)43/h2-3,11-12,14-16,21,24,33,52H,4-10,13,17H2,1H3;2-3,11-12,14-16,21,33H,4-10,13,17H2,1H3;3-6,10-11,13-14,20,32H,7-9,12,15H2,1-2H3/t2*21-;20-/m111/s1.

What are the key properties of [5-(3-acetyl-4-fluorophenyl)-6-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-2-pyridinyl] acetate;1-[5-(3-acetyl-4-fluorophenyl)-4-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]pyrimidin-2-yl]piperidin-4-one;(4R)-4-[5-(3-acetyl-4-fluorophenyl)-2-(4-hydroxypiperidin-1-yl)pyrimidin-4-yl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one?

[5-(3-acetyl-4-fluorophenyl)-6-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-2-pyridinyl] acetate;1-[5-(3-acetyl-4-fluorophenyl)-4-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]pyrimidin-2-yl]piperidin-4-one;(4R)-4-[5-(3-acetyl-4-fluorophenyl)-2-(4-hydroxypiperidin-1-yl)pyrimidin-4-yl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one has a molecular weight of 2216.90 g/mol, XLogP of 24.24, 33 rotatable bonds, 1 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for [5-(3-acetyl-4-fluorophenyl)-6-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-2-pyridinyl] acetate;1-[5-(3-acetyl-4-fluorophenyl)-4-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]pyrimidin-2-yl]piperidin-4-one;(4R)-4-[5-(3-acetyl-4-fluorophenyl)-2-(4-hydroxypiperidin-1-yl)pyrimidin-4-yl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one is sourced from PubChem (CID 161468887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).