5-[2-[(2R)-5-[3,5-bis(difluoromethyl)-4-methylpyrazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;5-[2-[(2R)-5-[4-bromo-3,5-bis(difluoromethyl)pyrazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;2,4,6-trimethyl-1,3,5,2,4,6-trioxatriborinane

C60H52B3BrF14N8O7 — CID 157493318

About 5-[2-[(2R)-5-[3,5-bis(difluoromethyl)-4-methylpyrazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;5-[2-[(2R)-5-[4-bromo-3,5-bis(difluoromethyl)pyrazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;2,4,6-trimethyl-1,3,5,2,4,6-trioxatriborinane

5-[2-[(2R)-5-[3,5-bis(difluoromethyl)-4-methylpyrazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;5-[2-[(2R)-5-[4-bromo-3,5-bis(difluoromethyl)pyrazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;2,4,6-trimethyl-1,3,5,2,4,6-trioxatriborinane (PubChem CID 157493318) has the molecular formula C60H52B3BrF14N8O7 and a molecular weight of 1375.44 g/mol. Its IUPAC name is 5-[2-[(2R)-5-[3,5-bis(difluoromethyl)-4-methylpyrazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;5-[2-[(2R)-5-[4-bromo-3,5-bis(difluoromethyl)pyrazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;2,4,6-trimethyl-1,3,5,2,4,6-trioxatriborinane.

Molecular Properties

• Compound Name: 5-[2-[(2R)-5-[3,5-bis(difluoromethyl)-4-methylpyrazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;5-[2-[(2R)-5-[4-bromo-3,5-bis(difluoromethyl)pyrazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;2,4,6-trimethyl-1,3,5,2,4,6-trioxatriborinane
• PubChem CID: 157493318
• Molecular Formula: C60H52B3BrF14N8O7
• Molecular Weight: 1375.44 g/mol
• Exact Mass: 1374.32
• IUPAC Name: 5-[2-[(2R)-5-[3,5-bis(difluoromethyl)-4-methylpyrazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;5-[2-[(2R)-5-[4-bromo-3,5-bis(difluoromethyl)pyrazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;2,4,6-trimethyl-1,3,5,2,4,6-trioxatriborinane
• SMILES: CB1OB(C)OB(C)O1.Cc1c(C(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)c(Br)c2C(F)F)Cc2cc(F)cc(F)c2)ccc1F
• InChI: InChI=1S/C29H23F7N4O2.C28H20BrF7N4O2.C3H9B3O3/c1-14-24(27(33)34)39-40(26(14)28(35)36)13-20(41)10-17(7-15-8-18(30)12-19(31)9-15)25-21(3-2-6-38-25)16-4-5-23(32)22(11-16)29(37)42;29-22-24(26(33)34)39-40(25(22)27(35)36)12-18(41)9-15(6-13-7-16(30)11-17(31)8-13)23-19(2-1-5-38-23)14-3-4-21(32)20(10-14)28(37)42;1-4-7-5(2)9-6(3)8-4/h2-6,8-9,11-12,17,27-28H,7,10,13H2,1H3,(H2,37,42);1-5,7-8,10-11,15,26-27H,6,9,12H2,(H2,37,42);1-3H3/t17-;15-;/m11./s1
• InChIKey: BXNMCDONLSZUDC-XMIRYGPISA-N
• XLogP: 14.12
• TPSA: 209.43 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 13
• Rotatable Bonds: 22
• Heavy Atoms: 93
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1375.44
LogP ≤ 5	14.12
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	13

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-[3,5-bis(difluoromethyl)-4-methylpyrazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;5-[2-[(2R)-5-[4-bromo-3,5-bis(difluoromethyl)pyrazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;2,4,6-trimethyl-1,3,5,2,4,6-trioxatriborinane?

The IUPAC name of 5-[2-[(2R)-5-[3,5-bis(difluoromethyl)-4-methylpyrazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;5-[2-[(2R)-5-[4-bromo-3,5-bis(difluoromethyl)pyrazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;2,4,6-trimethyl-1,3,5,2,4,6-trioxatriborinane (CID 157493318) is 5-[2-[(2R)-5-[3,5-bis(difluoromethyl)-4-methylpyrazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;5-[2-[(2R)-5-[4-bromo-3,5-bis(difluoromethyl)pyrazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;2,4,6-trimethyl-1,3,5,2,4,6-trioxatriborinane.

What is the SMILES notation for 5-[2-[(2R)-5-[3,5-bis(difluoromethyl)-4-methylpyrazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;5-[2-[(2R)-5-[4-bromo-3,5-bis(difluoromethyl)pyrazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;2,4,6-trimethyl-1,3,5,2,4,6-trioxatriborinane?

The canonical SMILES for 5-[2-[(2R)-5-[3,5-bis(difluoromethyl)-4-methylpyrazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;5-[2-[(2R)-5-[4-bromo-3,5-bis(difluoromethyl)pyrazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;2,4,6-trimethyl-1,3,5,2,4,6-trioxatriborinane is CB1OB(C)OB(C)O1.Cc1c(C(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)c(Br)c2C(F)F)Cc2cc(F)cc(F)c2)ccc1F.

What is the InChIKey of 5-[2-[(2R)-5-[3,5-bis(difluoromethyl)-4-methylpyrazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;5-[2-[(2R)-5-[4-bromo-3,5-bis(difluoromethyl)pyrazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;2,4,6-trimethyl-1,3,5,2,4,6-trioxatriborinane?

The InChIKey is BXNMCDONLSZUDC-XMIRYGPISA-N. The full InChI is InChI=1S/C29H23F7N4O2.C28H20BrF7N4O2.C3H9B3O3/c1-14-24(27(33)34)39-40(26(14)28(35)36)13-20(41)10-17(7-15-8-18(30)12-19(31)9-15)25-21(3-2-6-38-25)16-4-5-23(32)22(11-16)29(37)42;29-22-24(26(33)34)39-40(25(22)27(35)36)12-18(41)9-15(6-13-7-16(30)11-17(31)8-13)23-19(2-1-5-38-23)14-3-4-21(32)20(10-14)28(37)42;1-4-7-5(2)9-6(3)8-4/h2-6,8-9,11-12,17,27-28H,7,10,13H2,1H3,(H2,37,42);1-5,7-8,10-11,15,26-27H,6,9,12H2,(H2,37,42);1-3H3/t17-;15-;/m11./s1.

What are the key properties of 5-[2-[(2R)-5-[3,5-bis(difluoromethyl)-4-methylpyrazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;5-[2-[(2R)-5-[4-bromo-3,5-bis(difluoromethyl)pyrazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;2,4,6-trimethyl-1,3,5,2,4,6-trioxatriborinane?

5-[2-[(2R)-5-[3,5-bis(difluoromethyl)-4-methylpyrazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;5-[2-[(2R)-5-[4-bromo-3,5-bis(difluoromethyl)pyrazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;2,4,6-trimethyl-1,3,5,2,4,6-trioxatriborinane has a molecular weight of 1375.44 g/mol, XLogP of 14.12, 22 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-[(2R)-5-[3,5-bis(difluoromethyl)-4-methylpyrazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;5-[2-[(2R)-5-[4-bromo-3,5-bis(difluoromethyl)pyrazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;2,4,6-trimethyl-1,3,5,2,4,6-trioxatriborinane is sourced from PubChem (CID 157493318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).