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

C21H15F3N4O — CID 126672844

IUPACN-[3-[6-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2cnc3ccc(-c4cccc(C(F)(F)F)c4)nn23)c1
InChIInChI=1S/C21H15F3N4O/c1-13(29)26-17-7-3-5-15(11-17)19-12-25-20-9-8-18(27-28(19)20)14-4-2-6-16(10-14)21(22,23)24/h2-12H,1H3,(H,26,29)
InChIKeyJUWFKPCSCRDTTM-UHFFFAOYSA-N
MW396.37 g/mol
LogP5.04
Rot. Bonds3

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

N-[3-[6-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]phenyl]acetamide (PubChem CID 126672844) has the molecular formula C21H15F3N4O and a molecular weight of 396.37 g/mol. Its IUPAC name is N-[3-[6-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[6-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]phenyl]acetamide
PubChem CID126672844
Molecular FormulaC21H15F3N4O
Molecular Weight396.37 g/mol
Exact Mass396.12
IUPAC NameN-[3-[6-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2cnc3ccc(-c4cccc(C(F)(F)F)c4)nn23)c1
InChIInChI=1S/C21H15F3N4O/c1-13(29)26-17-7-3-5-15(11-17)19-12-25-20-9-8-18(27-28(19)20)14-4-2-6-16(10-14)21(22,23)24/h2-12H,1H3,(H,26,29)
InChIKeyJUWFKPCSCRDTTM-UHFFFAOYSA-N
XLogP5.04
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.37
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-[6-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]phenyl]acetamide?
The IUPAC name of N-[3-[6-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]phenyl]acetamide (CID 126672844) is N-[3-[6-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]phenyl]acetamide.
What is the SMILES notation for N-[3-[6-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]phenyl]acetamide?
The canonical SMILES for N-[3-[6-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]phenyl]acetamide is CC(=O)Nc1cccc(-c2cnc3ccc(-c4cccc(C(F)(F)F)c4)nn23)c1.
What is the InChIKey of N-[3-[6-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]phenyl]acetamide?
The InChIKey is JUWFKPCSCRDTTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F3N4O/c1-13(29)26-17-7-3-5-15(11-17)19-12-25-20-9-8-18(27-28(19)20)14-4-2-6-16(10-14)21(22,23)24/h2-12H,1H3,(H,26,29).
What are the key properties of N-[3-[6-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]phenyl]acetamide?
N-[3-[6-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]phenyl]acetamide has a molecular weight of 396.37 g/mol, XLogP of 5.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[6-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]phenyl]acetamide is sourced from PubChem (CID 126672844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).