5-bromo-6-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]pyridine-2-carboxamide

C25H19BrF8N4O2 — CID 159671734

About 5-bromo-6-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]pyridine-2-carboxamide

5-bromo-6-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]pyridine-2-carboxamide (PubChem CID 159671734) has the molecular formula C25H19BrF8N4O2 and a molecular weight of 639.34 g/mol. Its IUPAC name is 5-bromo-6-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 5-bromo-6-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]pyridine-2-carboxamide
• PubChem CID: 159671734
• Molecular Formula: C25H19BrF8N4O2
• Molecular Weight: 639.34 g/mol
• Exact Mass: 638.06
• IUPAC Name: 5-bromo-6-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]pyridine-2-carboxamide
• SMILES: NC(=O)c1ccc(Br)c([C@@H](CC(=O)Cn2nc(C(F)F)c3c2C(F)(F)CCC3(F)F)Cc2cc(F)cc(F)c2)n1
• InChI: InChI=1S/C25H19BrF8N4O2/c26-16-1-2-17(23(35)40)36-19(16)12(5-11-6-13(27)9-14(28)7-11)8-15(39)10-38-21-18(20(37-38)22(29)30)24(31,32)3-4-25(21,33)34/h1-2,6-7,9,12,22H,3-5,8,10H2,(H2,35,40)/t12-/m1/s1
• InChIKey: UYGOPBIEIKVGQB-GFCCVEGCSA-N
• XLogP: 6.32
• TPSA: 90.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	639.34
LogP ≤ 5	6.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]pyridine-2-carboxamide?

The IUPAC name of 5-bromo-6-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]pyridine-2-carboxamide (CID 159671734) is 5-bromo-6-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]pyridine-2-carboxamide.

What is the SMILES notation for 5-bromo-6-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]pyridine-2-carboxamide?

The canonical SMILES for 5-bromo-6-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]pyridine-2-carboxamide is NC(=O)c1ccc(Br)c([C@@H](CC(=O)Cn2nc(C(F)F)c3c2C(F)(F)CCC3(F)F)Cc2cc(F)cc(F)c2)n1.

What is the InChIKey of 5-bromo-6-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]pyridine-2-carboxamide?

The InChIKey is UYGOPBIEIKVGQB-GFCCVEGCSA-N. The full InChI is InChI=1S/C25H19BrF8N4O2/c26-16-1-2-17(23(35)40)36-19(16)12(5-11-6-13(27)9-14(28)7-11)8-15(39)10-38-21-18(20(37-38)22(29)30)24(31,32)3-4-25(21,33)34/h1-2,6-7,9,12,22H,3-5,8,10H2,(H2,35,40)/t12-/m1/s1.

What are the key properties of 5-bromo-6-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]pyridine-2-carboxamide?

5-bromo-6-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]pyridine-2-carboxamide has a molecular weight of 639.34 g/mol, XLogP of 6.32, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-6-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]pyridine-2-carboxamide is sourced from PubChem (CID 159671734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).