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;methane

C39H31F10N5O3 — CID 159671214

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;methane

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;methane (PubChem CID 159671214) has the molecular formula C39H31F10N5O3 and a molecular weight of 807.69 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;methane.

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;methane
• PubChem CID: 159671214
• Molecular Formula: C39H31F10N5O3
• Molecular Weight: 807.69 g/mol
• Exact Mass: 807.23
• 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;methane
• SMILES: 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
• InChI: InChI=1S/C38H27F10N5O3.CH4/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;/h1-6,10-11,13-15,20,34H,7-9,12,16H2,(H2,49,55)(H2,50,56);1H4/t20-;/m1./s1
• InChIKey: MUADIRVSDQSQJU-VEIFNGETSA-N
• XLogP: 8.90
• TPSA: 133.96 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 12
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	807.69
LogP ≤ 5	8.90
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

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;methane?

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;methane (CID 159671214) 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;methane.

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;methane?

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;methane is 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.

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;methane?

The InChIKey is MUADIRVSDQSQJU-VEIFNGETSA-N. The full InChI is InChI=1S/C38H27F10N5O3.CH4/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;/h1-6,10-11,13-15,20,34H,7-9,12,16H2,(H2,49,55)(H2,50,56);1H4/t20-;/m1./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;methane?

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;methane has a molecular weight of 807.69 g/mol, XLogP of 8.90, 12 rotatable bonds, 2 hydrogen bond donors, and 6 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;methane is sourced from PubChem (CID 159671214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).