2-(3-imidazo[1,2-b]pyridazin-6-yloxyphenyl)-N-[3-(trifluoromethyl)phenyl]acetamide

C21H15F3N4O2 — CID 118712385

IUPAC2-(3-imidazo[1,2-b]pyridazin-6-yloxyphenyl)-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cc1cccc(Oc2ccc3nccn3n2)c1)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C21H15F3N4O2/c22-21(23,24)15-4-2-5-16(13-15)26-19(29)12-14-3-1-6-17(11-14)30-20-8-7-18-25-9-10-28(18)27-20/h1-11,13H,12H2,(H,26,29)
InChIKeyPBAUIKFTIWQQEP-UHFFFAOYSA-N
MW412.37 g/mol
LogP4.72
Rot. Bonds5

About 2-(3-imidazo[1,2-b]pyridazin-6-yloxyphenyl)-N-[3-(trifluoromethyl)phenyl]acetamide

2-(3-imidazo[1,2-b]pyridazin-6-yloxyphenyl)-N-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 118712385) has the molecular formula C21H15F3N4O2 and a molecular weight of 412.37 g/mol. Its IUPAC name is 2-(3-imidazo[1,2-b]pyridazin-6-yloxyphenyl)-N-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(3-imidazo[1,2-b]pyridazin-6-yloxyphenyl)-N-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID118712385
Molecular FormulaC21H15F3N4O2
Molecular Weight412.37 g/mol
Exact Mass412.11
IUPAC Name2-(3-imidazo[1,2-b]pyridazin-6-yloxyphenyl)-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cc1cccc(Oc2ccc3nccn3n2)c1)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C21H15F3N4O2/c22-21(23,24)15-4-2-5-16(13-15)26-19(29)12-14-3-1-6-17(11-14)30-20-8-7-18-25-9-10-28(18)27-20/h1-11,13H,12H2,(H,26,29)
InChIKeyPBAUIKFTIWQQEP-UHFFFAOYSA-N
XLogP4.72
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.37
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-imidazo[1,2-b]pyridazin-6-yloxyphenyl)-N-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(3-imidazo[1,2-b]pyridazin-6-yloxyphenyl)-N-[3-(trifluoromethyl)phenyl]acetamide (CID 118712385) is 2-(3-imidazo[1,2-b]pyridazin-6-yloxyphenyl)-N-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(3-imidazo[1,2-b]pyridazin-6-yloxyphenyl)-N-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(3-imidazo[1,2-b]pyridazin-6-yloxyphenyl)-N-[3-(trifluoromethyl)phenyl]acetamide is O=C(Cc1cccc(Oc2ccc3nccn3n2)c1)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-(3-imidazo[1,2-b]pyridazin-6-yloxyphenyl)-N-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is PBAUIKFTIWQQEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F3N4O2/c22-21(23,24)15-4-2-5-16(13-15)26-19(29)12-14-3-1-6-17(11-14)30-20-8-7-18-25-9-10-28(18)27-20/h1-11,13H,12H2,(H,26,29).
What are the key properties of 2-(3-imidazo[1,2-b]pyridazin-6-yloxyphenyl)-N-[3-(trifluoromethyl)phenyl]acetamide?
2-(3-imidazo[1,2-b]pyridazin-6-yloxyphenyl)-N-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 412.37 g/mol, XLogP of 4.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-imidazo[1,2-b]pyridazin-6-yloxyphenyl)-N-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 118712385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).