5-[2-[(2R)-5-[4-bromo-5-(difluoromethyl)-3-(trifluoromethyl)pyrazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;5-[2-[(2R)-5-[5-(difluoromethyl)-4-ethenyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C66H56BBrF16N8O6 — CID 158975971

About 5-[2-[(2R)-5-[4-bromo-5-(difluoromethyl)-3-(trifluoromethyl)pyrazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;5-[2-[(2R)-5-[5-(difluoromethyl)-4-ethenyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

5-[2-[(2R)-5-[4-bromo-5-(difluoromethyl)-3-(trifluoromethyl)pyrazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;5-[2-[(2R)-5-[5-(difluoromethyl)-4-ethenyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 158975971) has the molecular formula C66H56BBrF16N8O6 and a molecular weight of 1451.91 g/mol. Its IUPAC name is 5-[2-[(2R)-5-[4-bromo-5-(difluoromethyl)-3-(trifluoromethyl)pyrazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;5-[2-[(2R)-5-[5-(difluoromethyl)-4-ethenyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

• Compound Name: 5-[2-[(2R)-5-[4-bromo-5-(difluoromethyl)-3-(trifluoromethyl)pyrazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;5-[2-[(2R)-5-[5-(difluoromethyl)-4-ethenyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• PubChem CID: 158975971
• Molecular Formula: C66H56BBrF16N8O6
• Molecular Weight: 1451.91 g/mol
• Exact Mass: 1450.33
• IUPAC Name: 5-[2-[(2R)-5-[4-bromo-5-(difluoromethyl)-3-(trifluoromethyl)pyrazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;5-[2-[(2R)-5-[5-(difluoromethyl)-4-ethenyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• SMILES: C=CB1OC(C)(C)C(C)(C)O1.C=Cc1c(C(F)(F)F)nn(CC(=O)C[C@@H](Cc2cc(F)cc(F)c2)c2ncccc2-c2ccc(F)c(C(N)=O)c2)c1C(F)F.NC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2nc(C(F)(F)F)c(Br)c2C(F)F)Cc2cc(F)cc(F)c2)ccc1F
• InChI: InChI=1S/C30H22F8N4O2.C28H19BrF8N4O2.C8H15BO2/c1-2-21-26(28(34)35)42(41-27(21)30(36,37)38)14-20(43)11-17(8-15-9-18(31)13-19(32)10-15)25-22(4-3-7-40-25)16-5-6-24(33)23(12-16)29(39)44;29-22-24(26(33)34)41(40-25(22)28(35,36)37)12-18(42)9-15(6-13-7-16(30)11-17(31)8-13)23-19(2-1-5-39-23)14-3-4-21(32)20(10-14)27(38)43;1-6-9-10-7(2,3)8(4,5)11-9/h2-7,9-10,12-13,17,28H,1,8,11,14H2,(H2,39,44);1-5,7-8,10-11,15,26H,6,9,12H2,(H2,38,43);6H,1H2,2-5H3/t17-;15-;/m11./s1
• InChIKey: JOKACNMSZKLSIP-XMIRYGPISA-N
• XLogP: 16.02
• TPSA: 200.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 22
• Heavy Atoms: 98
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1451.91
LogP ≤ 5	16.02
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[2-[(2R)-5-[4-bromo-5-(difluoromethyl)-3-(trifluoromethyl)pyrazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;5-[2-[(2R)-5-[5-(difluoromethyl)-4-ethenyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?

The IUPAC name of 5-[2-[(2R)-5-[4-bromo-5-(difluoromethyl)-3-(trifluoromethyl)pyrazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;5-[2-[(2R)-5-[5-(difluoromethyl)-4-ethenyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 158975971) is 5-[2-[(2R)-5-[4-bromo-5-(difluoromethyl)-3-(trifluoromethyl)pyrazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;5-[2-[(2R)-5-[5-(difluoromethyl)-4-ethenyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

What is the SMILES notation for 5-[2-[(2R)-5-[4-bromo-5-(difluoromethyl)-3-(trifluoromethyl)pyrazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;5-[2-[(2R)-5-[5-(difluoromethyl)-4-ethenyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?

The canonical SMILES for 5-[2-[(2R)-5-[4-bromo-5-(difluoromethyl)-3-(trifluoromethyl)pyrazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;5-[2-[(2R)-5-[5-(difluoromethyl)-4-ethenyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is C=CB1OC(C)(C)C(C)(C)O1.C=Cc1c(C(F)(F)F)nn(CC(=O)C[C@@H](Cc2cc(F)cc(F)c2)c2ncccc2-c2ccc(F)c(C(N)=O)c2)c1C(F)F.NC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2nc(C(F)(F)F)c(Br)c2C(F)F)Cc2cc(F)cc(F)c2)ccc1F.

What is the InChIKey of 5-[2-[(2R)-5-[4-bromo-5-(difluoromethyl)-3-(trifluoromethyl)pyrazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;5-[2-[(2R)-5-[5-(difluoromethyl)-4-ethenyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?

The InChIKey is JOKACNMSZKLSIP-XMIRYGPISA-N. The full InChI is InChI=1S/C30H22F8N4O2.C28H19BrF8N4O2.C8H15BO2/c1-2-21-26(28(34)35)42(41-27(21)30(36,37)38)14-20(43)11-17(8-15-9-18(31)13-19(32)10-15)25-22(4-3-7-40-25)16-5-6-24(33)23(12-16)29(39)44;29-22-24(26(33)34)41(40-25(22)28(35,36)37)12-18(42)9-15(6-13-7-16(30)11-17(31)8-13)23-19(2-1-5-39-23)14-3-4-21(32)20(10-14)27(38)43;1-6-9-10-7(2,3)8(4,5)11-9/h2-7,9-10,12-13,17,28H,1,8,11,14H2,(H2,39,44);1-5,7-8,10-11,15,26H,6,9,12H2,(H2,38,43);6H,1H2,2-5H3/t17-;15-;/m11./s1.

What are the key properties of 5-[2-[(2R)-5-[4-bromo-5-(difluoromethyl)-3-(trifluoromethyl)pyrazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;5-[2-[(2R)-5-[5-(difluoromethyl)-4-ethenyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?

5-[2-[(2R)-5-[4-bromo-5-(difluoromethyl)-3-(trifluoromethyl)pyrazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;5-[2-[(2R)-5-[5-(difluoromethyl)-4-ethenyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 1451.91 g/mol, XLogP of 16.02, 22 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-[(2R)-5-[4-bromo-5-(difluoromethyl)-3-(trifluoromethyl)pyrazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;5-[2-[(2R)-5-[5-(difluoromethyl)-4-ethenyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 158975971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).