5-[2-[(2R)-5-[3-(difluoromethyl)-7,7-difluoro-4-oxo-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;3-(difluoromethyl)-7,7-difluoro-1-(2-oxopropyl)-5,6-dihydroindazol-4-one

C42H33F11N6O5 — CID 160852488

About 5-[2-[(2R)-5-[3-(difluoromethyl)-7,7-difluoro-4-oxo-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;3-(difluoromethyl)-7,7-difluoro-1-(2-oxopropyl)-5,6-dihydroindazol-4-one

5-[2-[(2R)-5-[3-(difluoromethyl)-7,7-difluoro-4-oxo-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;3-(difluoromethyl)-7,7-difluoro-1-(2-oxopropyl)-5,6-dihydroindazol-4-one (PubChem CID 160852488) has the molecular formula C42H33F11N6O5 and a molecular weight of 910.74 g/mol. Its IUPAC name is 5-[2-[(2R)-5-[3-(difluoromethyl)-7,7-difluoro-4-oxo-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;3-(difluoromethyl)-7,7-difluoro-1-(2-oxopropyl)-5,6-dihydroindazol-4-one.

Molecular Properties

• Compound Name: 5-[2-[(2R)-5-[3-(difluoromethyl)-7,7-difluoro-4-oxo-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;3-(difluoromethyl)-7,7-difluoro-1-(2-oxopropyl)-5,6-dihydroindazol-4-one
• PubChem CID: 160852488
• Molecular Formula: C42H33F11N6O5
• Molecular Weight: 910.74 g/mol
• Exact Mass: 910.23
• IUPAC Name: 5-[2-[(2R)-5-[3-(difluoromethyl)-7,7-difluoro-4-oxo-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;3-(difluoromethyl)-7,7-difluoro-1-(2-oxopropyl)-5,6-dihydroindazol-4-one
• SMILES: CC(=O)Cn1nc(C(F)F)c2c1C(F)(F)CCC2=O.NC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2nc(C(F)F)c3c2C(F)(F)CCC3=O)Cc2cc(F)cc(F)c2)ccc1F
• InChI: InChI=1S/C31H23F7N4O3.C11H10F4N2O2/c32-18-9-15(10-19(33)13-18)8-17(26-21(2-1-7-40-26)16-3-4-23(34)22(12-16)30(39)45)11-20(43)14-42-28-25(27(41-42)29(35)36)24(44)5-6-31(28,37)38;1-5(18)4-17-9-7(8(16-17)10(12)13)6(19)2-3-11(9,14)15/h1-4,7,9-10,12-13,17,29H,5-6,8,11,14H2,(H2,39,45);10H,2-4H2,1H3/t17-;/m1./s1
• InChIKey: SJLAMLDMJJIEAT-UNTBIKODSA-N
• XLogP: 8.93
• TPSA: 159.90 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 13
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	910.74
LogP ≤ 5	8.93
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 5-[2-[(2R)-5-[3-(difluoromethyl)-7,7-difluoro-4-oxo-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;3-(difluoromethyl)-7,7-difluoro-1-(2-oxopropyl)-5,6-dihydroindazol-4-one?

The IUPAC name of 5-[2-[(2R)-5-[3-(difluoromethyl)-7,7-difluoro-4-oxo-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;3-(difluoromethyl)-7,7-difluoro-1-(2-oxopropyl)-5,6-dihydroindazol-4-one (CID 160852488) is 5-[2-[(2R)-5-[3-(difluoromethyl)-7,7-difluoro-4-oxo-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;3-(difluoromethyl)-7,7-difluoro-1-(2-oxopropyl)-5,6-dihydroindazol-4-one.

What is the SMILES notation for 5-[2-[(2R)-5-[3-(difluoromethyl)-7,7-difluoro-4-oxo-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;3-(difluoromethyl)-7,7-difluoro-1-(2-oxopropyl)-5,6-dihydroindazol-4-one?

The canonical SMILES for 5-[2-[(2R)-5-[3-(difluoromethyl)-7,7-difluoro-4-oxo-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;3-(difluoromethyl)-7,7-difluoro-1-(2-oxopropyl)-5,6-dihydroindazol-4-one is CC(=O)Cn1nc(C(F)F)c2c1C(F)(F)CCC2=O.NC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2nc(C(F)F)c3c2C(F)(F)CCC3=O)Cc2cc(F)cc(F)c2)ccc1F.

What is the InChIKey of 5-[2-[(2R)-5-[3-(difluoromethyl)-7,7-difluoro-4-oxo-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;3-(difluoromethyl)-7,7-difluoro-1-(2-oxopropyl)-5,6-dihydroindazol-4-one?

The InChIKey is SJLAMLDMJJIEAT-UNTBIKODSA-N. The full InChI is InChI=1S/C31H23F7N4O3.C11H10F4N2O2/c32-18-9-15(10-19(33)13-18)8-17(26-21(2-1-7-40-26)16-3-4-23(34)22(12-16)30(39)45)11-20(43)14-42-28-25(27(41-42)29(35)36)24(44)5-6-31(28,37)38;1-5(18)4-17-9-7(8(16-17)10(12)13)6(19)2-3-11(9,14)15/h1-4,7,9-10,12-13,17,29H,5-6,8,11,14H2,(H2,39,45);10H,2-4H2,1H3/t17-;/m1./s1.

What are the key properties of 5-[2-[(2R)-5-[3-(difluoromethyl)-7,7-difluoro-4-oxo-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;3-(difluoromethyl)-7,7-difluoro-1-(2-oxopropyl)-5,6-dihydroindazol-4-one?

5-[2-[(2R)-5-[3-(difluoromethyl)-7,7-difluoro-4-oxo-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;3-(difluoromethyl)-7,7-difluoro-1-(2-oxopropyl)-5,6-dihydroindazol-4-one has a molecular weight of 910.74 g/mol, XLogP of 8.93, 13 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-[(2R)-5-[3-(difluoromethyl)-7,7-difluoro-4-oxo-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;3-(difluoromethyl)-7,7-difluoro-1-(2-oxopropyl)-5,6-dihydroindazol-4-one is sourced from PubChem (CID 160852488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).