5-[6-(3-carbamoyl-4-fluorophenyl)-2-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;(4R)-4-(3,6-dibromo-2-pyridinyl)-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoyl fluoride

C75H59BBr2F20N8O7 — CID 157369132

About 5-[6-(3-carbamoyl-4-fluorophenyl)-2-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;(4R)-4-(3,6-dibromo-2-pyridinyl)-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoyl fluoride

5-[6-(3-carbamoyl-4-fluorophenyl)-2-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;(4R)-4-(3,6-dibromo-2-pyridinyl)-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoyl fluoride (PubChem CID 157369132) has the molecular formula C75H59BBr2F20N8O7 and a molecular weight of 1734.93 g/mol. Its IUPAC name is 5-[6-(3-carbamoyl-4-fluorophenyl)-2-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;(4R)-4-(3,6-dibromo-2-pyridinyl)-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoyl fluoride.

Molecular Properties

• Compound Name: 5-[6-(3-carbamoyl-4-fluorophenyl)-2-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;(4R)-4-(3,6-dibromo-2-pyridinyl)-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoyl fluoride
• PubChem CID: 157369132
• Molecular Formula: C75H59BBr2F20N8O7
• Molecular Weight: 1734.93 g/mol
• Exact Mass: 1732.26
• IUPAC Name: 5-[6-(3-carbamoyl-4-fluorophenyl)-2-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;(4R)-4-(3,6-dibromo-2-pyridinyl)-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoyl fluoride
• SMILES: CC1(C)OB(c2ccc(F)c(C(=O)F)c2)OC1(C)C.NC(=O)c1cc(-c2ccc(-c3ccc(F)c(C(N)=O)c3)c([C@@H](CC(=O)Cn3nc(C(F)F)c4c3C(F)(F)CCC4(F)F)Cc3cc(F)cc(F)c3)n2)ccc1F.O=C(C[C@@H](Cc1cc(F)cc(F)c1)c1nc(Br)ccc1Br)Cn1nc(C(F)F)c2c1C(F)(F)CCC2(F)F
• InChI: InChI=1S/C38H27F10N5O3.C24H17Br2F8N3O.C13H15BF2O3/c39-21-10-17(11-22(40)15-21)9-20(12-23(54)16-53-33-30(32(52-53)34(43)44)37(45,46)7-8-38(33,47)48)31-24(18-1-4-27(41)25(13-18)35(49)55)3-6-29(51-31)19-2-5-28(42)26(14-19)36(50)56;25-16-1-2-17(26)35-19(16)12(5-11-6-13(27)9-14(28)7-11)8-15(38)10-37-21-18(20(36-37)22(29)30)23(31,32)3-4-24(21,33)34;1-12(2)13(3,4)19-14(18-12)8-5-6-10(15)9(7-8)11(16)17/h1-6,10-11,13-15,20,34H,7-9,12,16H2,(H2,49,55)(H2,50,56);1-2,6-7,9,12,22H,3-5,8,10H2;5-7H,1-4H3/t20-;12-;/m11./s1
• InChIKey: BJNUBRQJRADTNJ-DTVVRTCNSA-N
• XLogP: 18.48
• TPSA: 217.27 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 13
• Rotatable Bonds: 22
• Heavy Atoms: 113
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1734.93
LogP ≤ 5	18.48
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[6-(3-carbamoyl-4-fluorophenyl)-2-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;(4R)-4-(3,6-dibromo-2-pyridinyl)-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoyl fluoride?

The IUPAC name of 5-[6-(3-carbamoyl-4-fluorophenyl)-2-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;(4R)-4-(3,6-dibromo-2-pyridinyl)-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoyl fluoride (CID 157369132) is 5-[6-(3-carbamoyl-4-fluorophenyl)-2-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;(4R)-4-(3,6-dibromo-2-pyridinyl)-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoyl fluoride.

What is the SMILES notation for 5-[6-(3-carbamoyl-4-fluorophenyl)-2-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;(4R)-4-(3,6-dibromo-2-pyridinyl)-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoyl fluoride?

The canonical SMILES for 5-[6-(3-carbamoyl-4-fluorophenyl)-2-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;(4R)-4-(3,6-dibromo-2-pyridinyl)-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoyl fluoride is CC1(C)OB(c2ccc(F)c(C(=O)F)c2)OC1(C)C.NC(=O)c1cc(-c2ccc(-c3ccc(F)c(C(N)=O)c3)c([C@@H](CC(=O)Cn3nc(C(F)F)c4c3C(F)(F)CCC4(F)F)Cc3cc(F)cc(F)c3)n2)ccc1F.O=C(C[C@@H](Cc1cc(F)cc(F)c1)c1nc(Br)ccc1Br)Cn1nc(C(F)F)c2c1C(F)(F)CCC2(F)F.

What is the InChIKey of 5-[6-(3-carbamoyl-4-fluorophenyl)-2-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;(4R)-4-(3,6-dibromo-2-pyridinyl)-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoyl fluoride?

The InChIKey is BJNUBRQJRADTNJ-DTVVRTCNSA-N. The full InChI is InChI=1S/C38H27F10N5O3.C24H17Br2F8N3O.C13H15BF2O3/c39-21-10-17(11-22(40)15-21)9-20(12-23(54)16-53-33-30(32(52-53)34(43)44)37(45,46)7-8-38(33,47)48)31-24(18-1-4-27(41)25(13-18)35(49)55)3-6-29(51-31)19-2-5-28(42)26(14-19)36(50)56;25-16-1-2-17(26)35-19(16)12(5-11-6-13(27)9-14(28)7-11)8-15(38)10-37-21-18(20(36-37)22(29)30)23(31,32)3-4-24(21,33)34;1-12(2)13(3,4)19-14(18-12)8-5-6-10(15)9(7-8)11(16)17/h1-6,10-11,13-15,20,34H,7-9,12,16H2,(H2,49,55)(H2,50,56);1-2,6-7,9,12,22H,3-5,8,10H2;5-7H,1-4H3/t20-;12-;/m11./s1.

What are the key properties of 5-[6-(3-carbamoyl-4-fluorophenyl)-2-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;(4R)-4-(3,6-dibromo-2-pyridinyl)-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoyl fluoride?

5-[6-(3-carbamoyl-4-fluorophenyl)-2-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;(4R)-4-(3,6-dibromo-2-pyridinyl)-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoyl fluoride has a molecular weight of 1734.93 g/mol, XLogP of 18.48, 22 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[6-(3-carbamoyl-4-fluorophenyl)-2-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;(4R)-4-(3,6-dibromo-2-pyridinyl)-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoyl fluoride is sourced from PubChem (CID 157369132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).