2-[4-(trifluoromethoxy)phenyl]-N-[6-[3-[6-[[2-[4-(trifluoromethoxy)phenyl]acetyl]amino]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]acetamide

C32H28F6N6O4 — CID 123532725

About 2-[4-(trifluoromethoxy)phenyl]-N-[6-[3-[6-[[2-[4-(trifluoromethoxy)phenyl]acetyl]amino]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]acetamide

2-[4-(trifluoromethoxy)phenyl]-N-[6-[3-[6-[[2-[4-(trifluoromethoxy)phenyl]acetyl]amino]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]acetamide (PubChem CID 123532725) has the molecular formula C32H28F6N6O4 and a molecular weight of 674.60 g/mol. Its IUPAC name is 2-[4-(trifluoromethoxy)phenyl]-N-[6-[3-[6-[[2-[4-(trifluoromethoxy)phenyl]acetyl]amino]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]acetamide.

Molecular Properties

• Compound Name: 2-[4-(trifluoromethoxy)phenyl]-N-[6-[3-[6-[[2-[4-(trifluoromethoxy)phenyl]acetyl]amino]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]acetamide
• PubChem CID: 123532725
• Molecular Formula: C32H28F6N6O4
• Molecular Weight: 674.60 g/mol
• Exact Mass: 674.21
• IUPAC Name: 2-[4-(trifluoromethoxy)phenyl]-N-[6-[3-[6-[[2-[4-(trifluoromethoxy)phenyl]acetyl]amino]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]acetamide
• SMILES: O=C(Cc1ccc(OC(F)(F)F)cc1)Nc1ccc(C2CCCC(c3ccc(NC(=O)Cc4ccc(OC(F)(F)F)cc4)nn3)C2)nn1
• InChI: InChI=1S/C32H28F6N6O4/c33-31(34,35)47-23-8-4-19(5-9-23)16-29(45)39-27-14-12-25(41-43-27)21-2-1-3-22(18-21)26-13-15-28(44-42-26)40-30(46)17-20-6-10-24(11-7-20)48-32(36,37)38/h4-15,21-22H,1-3,16-18H2,(H,39,43,45)(H,40,44,46)
• InChIKey: WDVQGZSOKGIHBD-UHFFFAOYSA-N
• XLogP: 6.87
• TPSA: 128.22 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	674.60
LogP ≤ 5	6.87
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[4-(trifluoromethoxy)phenyl]-N-[6-[3-[6-[[2-[4-(trifluoromethoxy)phenyl]acetyl]amino]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]acetamide?

The IUPAC name of 2-[4-(trifluoromethoxy)phenyl]-N-[6-[3-[6-[[2-[4-(trifluoromethoxy)phenyl]acetyl]amino]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]acetamide (CID 123532725) is 2-[4-(trifluoromethoxy)phenyl]-N-[6-[3-[6-[[2-[4-(trifluoromethoxy)phenyl]acetyl]amino]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]acetamide.

What is the SMILES notation for 2-[4-(trifluoromethoxy)phenyl]-N-[6-[3-[6-[[2-[4-(trifluoromethoxy)phenyl]acetyl]amino]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]acetamide?

The canonical SMILES for 2-[4-(trifluoromethoxy)phenyl]-N-[6-[3-[6-[[2-[4-(trifluoromethoxy)phenyl]acetyl]amino]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]acetamide is O=C(Cc1ccc(OC(F)(F)F)cc1)Nc1ccc(C2CCCC(c3ccc(NC(=O)Cc4ccc(OC(F)(F)F)cc4)nn3)C2)nn1.

What is the InChIKey of 2-[4-(trifluoromethoxy)phenyl]-N-[6-[3-[6-[[2-[4-(trifluoromethoxy)phenyl]acetyl]amino]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]acetamide?

The InChIKey is WDVQGZSOKGIHBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28F6N6O4/c33-31(34,35)47-23-8-4-19(5-9-23)16-29(45)39-27-14-12-25(41-43-27)21-2-1-3-22(18-21)26-13-15-28(44-42-26)40-30(46)17-20-6-10-24(11-7-20)48-32(36,37)38/h4-15,21-22H,1-3,16-18H2,(H,39,43,45)(H,40,44,46).

What are the key properties of 2-[4-(trifluoromethoxy)phenyl]-N-[6-[3-[6-[[2-[4-(trifluoromethoxy)phenyl]acetyl]amino]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]acetamide?

2-[4-(trifluoromethoxy)phenyl]-N-[6-[3-[6-[[2-[4-(trifluoromethoxy)phenyl]acetyl]amino]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]acetamide has a molecular weight of 674.60 g/mol, XLogP of 6.87, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(trifluoromethoxy)phenyl]-N-[6-[3-[6-[[2-[4-(trifluoromethoxy)phenyl]acetyl]amino]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]acetamide is sourced from PubChem (CID 123532725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).