6-[2-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-6-(3-hydroxy-3-methylbut-1-ynyl)-3-pyridinyl]-2,3-dihydroinden-1-one;6-[2-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-6-(2-methoxy-4-pyridinyl)-3-pyridinyl]-2,3-dihydroinden-1-one;6-[6-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-5-(3-oxo-1,2-dihydroinden-5-yl)-3-pyridinyl]-2,3-dihydroisoindol-1-one

C₁₁₈H₉₁F₂₄N₁₁O₉ — CID 157460343

About 6-[2-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-6-(3-hydroxy-3-methylbut-1-ynyl)-3-pyridinyl]-2,3-dihydroinden-1-one;6-[2-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-6-(2-methoxy-4-pyridinyl)-3-pyridinyl]-2,3-dihydroinden-1-one;6-[6-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-5-(3-oxo-1,2-dihydroinden-5-yl)-3-pyridinyl]-2,3-dihydroisoindol-1-one

6-[2-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-6-(3-hydroxy-3-methylbut-1-ynyl)-3-pyridinyl]-2,3-dihydroinden-1-one;6-[2-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-6-(2-methoxy-4-pyridinyl)-3-pyridinyl]-2,3-dihydroinden-1-one;6-[6-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-5-(3-oxo-1,2-dihydroinden-5-yl)-3-pyridinyl]-2,3-dihydroisoindol-1-one (PubChem CID 157460343) has the molecular formula C₁₁₈H₉₁F₂₄N₁₁O₉ and a molecular weight of 2263.05 g/mol. Its IUPAC name is 6-[2-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-6-(3-hydroxy-3-methylbut-1-ynyl)-3-pyridinyl]-2,3-dihydroinden-1-one;6-[2-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-6-(2-methoxy-4-pyridinyl)-3-pyridinyl]-2,3-dihydroinden-1-one;6-[6-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-5-(3-oxo-1,2-dihydroinden-5-yl)-3-pyridinyl]-2,3-dihydroisoindol-1-one.

Molecular Properties

• Compound Name: 6-[2-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-6-(3-hydroxy-3-methylbut-1-ynyl)-3-pyridinyl]-2,3-dihydroinden-1-one;6-[2-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-6-(2-methoxy-4-pyridinyl)-3-pyridinyl]-2,3-dihydroinden-1-one;6-[6-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-5-(3-oxo-1,2-dihydroinden-5-yl)-3-pyridinyl]-2,3-dihydroisoindol-1-one
• PubChem CID: 157460343
• Molecular Formula: C₁₁₈H₉₁F₂₄N₁₁O₉
• Molecular Weight: 2263.05 g/mol
• Exact Mass: 2261.66
• IUPAC Name: 6-[2-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-6-(3-hydroxy-3-methylbut-1-ynyl)-3-pyridinyl]-2,3-dihydroinden-1-one;6-[2-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-6-(2-methoxy-4-pyridinyl)-3-pyridinyl]-2,3-dihydroinden-1-one;6-[6-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-5-(3-oxo-1,2-dihydroinden-5-yl)-3-pyridinyl]-2,3-dihydroisoindol-1-one
• SMILES: CC(C)(O)C#Cc1ccc(-c2ccc3c(c2)C(=O)CC3)c([C@@H](CC(=O)Cn2nc(C(F)F)c3c2C(F)(F)CCC3(F)F)Cc2cc(F)cc(F)c2)n1.COc1cc(-c2ccc(-c3ccc4c(c3)C(=O)CC4)c([C@@H](CC(=O)Cn3nc(C(F)F)c4c3C(F)(F)CCC4(F)F)Cc3cc(F)cc(F)c3)n2)ccn1.O=C(C[C@@H](Cc1cc(F)cc(F)c1)c1ncc(-c2ccc3c(c2)C(=O)NC3)cc1-c1ccc2c(c1)C(=O)CC2)Cn1nc(C(F)F)c2c1C(F)(F)CCC2(F)F
• InChI: InChI=1S/C41H30F8N4O3.C39H30F8N4O3.C38H31F8N3O3/c42-27-10-20(11-28(43)16-27)9-25(12-29(54)19-53-37-34(36(52-53)38(44)45)40(46,47)7-8-41(37,48)49)35-31(23-3-1-21-5-6-33(55)30(21)14-23)15-26(18-50-35)22-2-4-24-17-51-39(56)32(24)13-22;1-54-32-17-23(8-11-48-32)30-6-5-28(22-3-2-21-4-7-31(53)29(21)16-22)34(49-30)24(12-20-13-25(40)18-26(41)14-20)15-27(52)19-51-36-33(35(50-51)37(42)43)38(44,45)9-10-39(36,46)47;1-36(2,52)10-9-26-6-7-28(22-4-3-21-5-8-30(51)29(21)17-22)32(47-26)23(13-20-14-24(39)18-25(40)15-20)16-27(50)19-49-34-31(33(48-49)35(41)42)37(43,44)11-12-38(34,45)46/h1-4,10-11,13-16,18,25,38H,5-9,12,17,19H2,(H,51,56);2-3,5-6,8,11,13-14,16-18,24,37H,4,7,9-10,12,15,19H2,1H3;3-4,6-7,14-15,17-18,23,35,52H,5,8,11-13,16,19H2,1-2H3/t25-;24-;23-/m111/s1
• InChIKey: BTVRHDYHUNNEMD-PKWUEHHDSA-N
• XLogP: 26.86
• TPSA: 266.00 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 19
• Rotatable Bonds: 30
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2263.05
LogP ≤ 5	26.86
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[2-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-6-(3-hydroxy-3-methylbut-1-ynyl)-3-pyridinyl]-2,3-dihydroinden-1-one;6-[2-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-6-(2-methoxy-4-pyridinyl)-3-pyridinyl]-2,3-dihydroinden-1-one;6-[6-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-5-(3-oxo-1,2-dihydroinden-5-yl)-3-pyridinyl]-2,3-dihydroisoindol-1-one?

The IUPAC name of 6-[2-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-6-(3-hydroxy-3-methylbut-1-ynyl)-3-pyridinyl]-2,3-dihydroinden-1-one;6-[2-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-6-(2-methoxy-4-pyridinyl)-3-pyridinyl]-2,3-dihydroinden-1-one;6-[6-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-5-(3-oxo-1,2-dihydroinden-5-yl)-3-pyridinyl]-2,3-dihydroisoindol-1-one (CID 157460343) is 6-[2-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-6-(3-hydroxy-3-methylbut-1-ynyl)-3-pyridinyl]-2,3-dihydroinden-1-one;6-[2-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-6-(2-methoxy-4-pyridinyl)-3-pyridinyl]-2,3-dihydroinden-1-one;6-[6-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-5-(3-oxo-1,2-dihydroinden-5-yl)-3-pyridinyl]-2,3-dihydroisoindol-1-one.

What is the SMILES notation for 6-[2-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-6-(3-hydroxy-3-methylbut-1-ynyl)-3-pyridinyl]-2,3-dihydroinden-1-one;6-[2-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-6-(2-methoxy-4-pyridinyl)-3-pyridinyl]-2,3-dihydroinden-1-one;6-[6-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-5-(3-oxo-1,2-dihydroinden-5-yl)-3-pyridinyl]-2,3-dihydroisoindol-1-one?

The canonical SMILES for 6-[2-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-6-(3-hydroxy-3-methylbut-1-ynyl)-3-pyridinyl]-2,3-dihydroinden-1-one;6-[2-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-6-(2-methoxy-4-pyridinyl)-3-pyridinyl]-2,3-dihydroinden-1-one;6-[6-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-5-(3-oxo-1,2-dihydroinden-5-yl)-3-pyridinyl]-2,3-dihydroisoindol-1-one is CC(C)(O)C#Cc1ccc(-c2ccc3c(c2)C(=O)CC3)c([C@@H](CC(=O)Cn2nc(C(F)F)c3c2C(F)(F)CCC3(F)F)Cc2cc(F)cc(F)c2)n1.COc1cc(-c2ccc(-c3ccc4c(c3)C(=O)CC4)c([C@@H](CC(=O)Cn3nc(C(F)F)c4c3C(F)(F)CCC4(F)F)Cc3cc(F)cc(F)c3)n2)ccn1.O=C(C[C@@H](Cc1cc(F)cc(F)c1)c1ncc(-c2ccc3c(c2)C(=O)NC3)cc1-c1ccc2c(c1)C(=O)CC2)Cn1nc(C(F)F)c2c1C(F)(F)CCC2(F)F.

What is the InChIKey of 6-[2-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-6-(3-hydroxy-3-methylbut-1-ynyl)-3-pyridinyl]-2,3-dihydroinden-1-one;6-[2-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-6-(2-methoxy-4-pyridinyl)-3-pyridinyl]-2,3-dihydroinden-1-one;6-[6-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-5-(3-oxo-1,2-dihydroinden-5-yl)-3-pyridinyl]-2,3-dihydroisoindol-1-one?

The InChIKey is BTVRHDYHUNNEMD-PKWUEHHDSA-N. The full InChI is InChI=1S/C41H30F8N4O3.C39H30F8N4O3.C38H31F8N3O3/c42-27-10-20(11-28(43)16-27)9-25(12-29(54)19-53-37-34(36(52-53)38(44)45)40(46,47)7-8-41(37,48)49)35-31(23-3-1-21-5-6-33(55)30(21)14-23)15-26(18-50-35)22-2-4-24-17-51-39(56)32(24)13-22;1-54-32-17-23(8-11-48-32)30-6-5-28(22-3-2-21-4-7-31(53)29(21)16-22)34(49-30)24(12-20-13-25(40)18-26(41)14-20)15-27(52)19-51-36-33(35(50-51)37(42)43)38(44,45)9-10-39(36,46)47;1-36(2,52)10-9-26-6-7-28(22-4-3-21-5-8-30(51)29(21)17-22)32(47-26)23(13-20-14-24(39)18-25(40)15-20)16-27(50)19-49-34-31(33(48-49)35(41)42)37(43,44)11-12-38(34,45)46/h1-4,10-11,13-16,18,25,38H,5-9,12,17,19H2,(H,51,56);2-3,5-6,8,11,13-14,16-18,24,37H,4,7,9-10,12,15,19H2,1H3;3-4,6-7,14-15,17-18,23,35,52H,5,8,11-13,16,19H2,1-2H3/t25-;24-;23-/m111/s1.

What are the key properties of 6-[2-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-6-(3-hydroxy-3-methylbut-1-ynyl)-3-pyridinyl]-2,3-dihydroinden-1-one;6-[2-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-6-(2-methoxy-4-pyridinyl)-3-pyridinyl]-2,3-dihydroinden-1-one;6-[6-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-5-(3-oxo-1,2-dihydroinden-5-yl)-3-pyridinyl]-2,3-dihydroisoindol-1-one?

6-[2-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-6-(3-hydroxy-3-methylbut-1-ynyl)-3-pyridinyl]-2,3-dihydroinden-1-one;6-[2-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-6-(2-methoxy-4-pyridinyl)-3-pyridinyl]-2,3-dihydroinden-1-one;6-[6-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-5-(3-oxo-1,2-dihydroinden-5-yl)-3-pyridinyl]-2,3-dihydroisoindol-1-one has a molecular weight of 2263.05 g/mol, XLogP of 26.86, 30 rotatable bonds, 2 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-6-(3-hydroxy-3-methylbut-1-ynyl)-3-pyridinyl]-2,3-dihydroinden-1-one;6-[2-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-6-(2-methoxy-4-pyridinyl)-3-pyridinyl]-2,3-dihydroinden-1-one;6-[6-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-5-(3-oxo-1,2-dihydroinden-5-yl)-3-pyridinyl]-2,3-dihydroisoindol-1-one is sourced from PubChem (CID 157460343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 157460343 — identifiers, structure, computed properties (public domain)

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