2-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(2-hydroxy-2,3-dihydro-1H-indol-4-yl)-2-pyridinyl]ethyl]acetamide

C31H25F8N5O2 — CID 167303702

About 2-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(2-hydroxy-2,3-dihydro-1H-indol-4-yl)-2-pyridinyl]ethyl]acetamide

2-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(2-hydroxy-2,3-dihydro-1H-indol-4-yl)-2-pyridinyl]ethyl]acetamide (PubChem CID 167303702) has the molecular formula C31H25F8N5O2 and a molecular weight of 651.56 g/mol. Its IUPAC name is 2-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(2-hydroxy-2,3-dihydro-1H-indol-4-yl)-2-pyridinyl]ethyl]acetamide.

Molecular Properties

• Compound Name: 2-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(2-hydroxy-2,3-dihydro-1H-indol-4-yl)-2-pyridinyl]ethyl]acetamide
• PubChem CID: 167303702
• Molecular Formula: C31H25F8N5O2
• Molecular Weight: 651.56 g/mol
• Exact Mass: 651.19
• IUPAC Name: 2-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(2-hydroxy-2,3-dihydro-1H-indol-4-yl)-2-pyridinyl]ethyl]acetamide
• SMILES: O=C(Cn1nc(C(F)F)c2c1C(F)(F)CCC2(F)F)N[C@@H](Cc1cc(F)cc(F)c1)c1ncccc1-c1cccc2c1CC(O)N2
• InChI: InChI=1S/C31H25F8N5O2/c32-16-9-15(10-17(33)12-16)11-22(26-19(4-2-8-40-26)18-3-1-5-21-20(18)13-23(45)41-21)42-24(46)14-44-28-25(27(43-44)29(34)35)30(36,37)6-7-31(28,38)39/h1-5,8-10,12,22-23,29,41,45H,6-7,11,13-14H2,(H,42,46)/t22-,23?/m0/s1
• InChIKey: VNNRSTXVTJRSNP-NQCNTLBGSA-N
• XLogP: 6.52
• TPSA: 92.07 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	651.56
LogP ≤ 5	6.52
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(2-hydroxy-2,3-dihydro-1H-indol-4-yl)-2-pyridinyl]ethyl]acetamide?

The IUPAC name of 2-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(2-hydroxy-2,3-dihydro-1H-indol-4-yl)-2-pyridinyl]ethyl]acetamide (CID 167303702) is 2-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(2-hydroxy-2,3-dihydro-1H-indol-4-yl)-2-pyridinyl]ethyl]acetamide.

What is the SMILES notation for 2-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(2-hydroxy-2,3-dihydro-1H-indol-4-yl)-2-pyridinyl]ethyl]acetamide?

The canonical SMILES for 2-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(2-hydroxy-2,3-dihydro-1H-indol-4-yl)-2-pyridinyl]ethyl]acetamide is O=C(Cn1nc(C(F)F)c2c1C(F)(F)CCC2(F)F)N[C@@H](Cc1cc(F)cc(F)c1)c1ncccc1-c1cccc2c1CC(O)N2.

What is the InChIKey of 2-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(2-hydroxy-2,3-dihydro-1H-indol-4-yl)-2-pyridinyl]ethyl]acetamide?

The InChIKey is VNNRSTXVTJRSNP-NQCNTLBGSA-N. The full InChI is InChI=1S/C31H25F8N5O2/c32-16-9-15(10-17(33)12-16)11-22(26-19(4-2-8-40-26)18-3-1-5-21-20(18)13-23(45)41-21)42-24(46)14-44-28-25(27(43-44)29(34)35)30(36,37)6-7-31(28,38)39/h1-5,8-10,12,22-23,29,41,45H,6-7,11,13-14H2,(H,42,46)/t22-,23?/m0/s1.

What are the key properties of 2-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(2-hydroxy-2,3-dihydro-1H-indol-4-yl)-2-pyridinyl]ethyl]acetamide?

2-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(2-hydroxy-2,3-dihydro-1H-indol-4-yl)-2-pyridinyl]ethyl]acetamide has a molecular weight of 651.56 g/mol, XLogP of 6.52, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(2-hydroxy-2,3-dihydro-1H-indol-4-yl)-2-pyridinyl]ethyl]acetamide is sourced from PubChem (CID 167303702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).