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

C32H28F6N6O4 — CID 123193328

IUPAC2-[3-(trifluoromethoxy)phenyl]-N-[6-[3-[6-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]acetamide
SMILESO=C(Cc1cccc(OC(F)(F)F)c1)Nc1ccc(C2CCCC(c3ccc(NC(=O)Cc4cccc(OC(F)(F)F)c4)nn3)C2)nn1
InChIInChI=1S/C32H28F6N6O4/c33-31(34,35)47-23-8-1-4-19(14-23)16-29(45)39-27-12-10-25(41-43-27)21-6-3-7-22(18-21)26-11-13-28(44-42-26)40-30(46)17-20-5-2-9-24(15-20)48-32(36,37)38/h1-2,4-5,8-15,21-22H,3,6-7,16-18H2,(H,39,43,45)(H,40,44,46)
InChIKeyATEQIVQBVSGSJK-UHFFFAOYSA-N
MW674.60 g/mol
LogP6.87
Rot. Bonds10

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

2-[3-(trifluoromethoxy)phenyl]-N-[6-[3-[6-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]acetamide (PubChem CID 123193328) has the molecular formula C32H28F6N6O4 and a molecular weight of 674.60 g/mol. Its IUPAC name is 2-[3-(trifluoromethoxy)phenyl]-N-[6-[3-[6-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]acetamide.

Molecular Properties

Compound Name2-[3-(trifluoromethoxy)phenyl]-N-[6-[3-[6-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]acetamide
PubChem CID123193328
Molecular FormulaC32H28F6N6O4
Molecular Weight674.60 g/mol
Exact Mass674.21
IUPAC Name2-[3-(trifluoromethoxy)phenyl]-N-[6-[3-[6-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]acetamide
SMILESO=C(Cc1cccc(OC(F)(F)F)c1)Nc1ccc(C2CCCC(c3ccc(NC(=O)Cc4cccc(OC(F)(F)F)c4)nn3)C2)nn1
InChIInChI=1S/C32H28F6N6O4/c33-31(34,35)47-23-8-1-4-19(14-23)16-29(45)39-27-12-10-25(41-43-27)21-6-3-7-22(18-21)26-11-13-28(44-42-26)40-30(46)17-20-5-2-9-24(15-20)48-32(36,37)38/h1-2,4-5,8-15,21-22H,3,6-7,16-18H2,(H,39,43,45)(H,40,44,46)
InChIKeyATEQIVQBVSGSJK-UHFFFAOYSA-N
XLogP6.87
TPSA128.22 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500674.60
LogP ≤ 56.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(trifluoromethoxy)phenyl]-N-[6-[3-[6-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]acetamide?
The IUPAC name of 2-[3-(trifluoromethoxy)phenyl]-N-[6-[3-[6-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]acetamide (CID 123193328) is 2-[3-(trifluoromethoxy)phenyl]-N-[6-[3-[6-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]acetamide.
What is the SMILES notation for 2-[3-(trifluoromethoxy)phenyl]-N-[6-[3-[6-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]acetamide?
The canonical SMILES for 2-[3-(trifluoromethoxy)phenyl]-N-[6-[3-[6-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]acetamide is O=C(Cc1cccc(OC(F)(F)F)c1)Nc1ccc(C2CCCC(c3ccc(NC(=O)Cc4cccc(OC(F)(F)F)c4)nn3)C2)nn1.
What is the InChIKey of 2-[3-(trifluoromethoxy)phenyl]-N-[6-[3-[6-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]acetamide?
The InChIKey is ATEQIVQBVSGSJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28F6N6O4/c33-31(34,35)47-23-8-1-4-19(14-23)16-29(45)39-27-12-10-25(41-43-27)21-6-3-7-22(18-21)26-11-13-28(44-42-26)40-30(46)17-20-5-2-9-24(15-20)48-32(36,37)38/h1-2,4-5,8-15,21-22H,3,6-7,16-18H2,(H,39,43,45)(H,40,44,46).
What are the key properties of 2-[3-(trifluoromethoxy)phenyl]-N-[6-[3-[6-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]acetamide?
2-[3-(trifluoromethoxy)phenyl]-N-[6-[3-[6-[[2-[3-(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-[3-(trifluoromethoxy)phenyl]-N-[6-[3-[6-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]acetamide is sourced from PubChem (CID 123193328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).