4-[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]thiomorpholine

C17H15F3N4OS — CID 123401440

IUPAC4-[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]thiomorpholine
SMILESFC(F)(F)Oc1cccc(-c2cnc3ccc(N4CCSCC4)nn23)c1
InChIInChI=1S/C17H15F3N4OS/c18-17(19,20)25-13-3-1-2-12(10-13)14-11-21-15-4-5-16(22-24(14)15)23-6-8-26-9-7-23/h1-5,10-11H,6-9H2
InChIKeyZXAYFMGAROJAMM-UHFFFAOYSA-N
MW380.40 g/mol
LogP3.85
Rot. Bonds3

About 4-[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]thiomorpholine

4-[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]thiomorpholine (PubChem CID 123401440) has the molecular formula C17H15F3N4OS and a molecular weight of 380.40 g/mol. Its IUPAC name is 4-[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]thiomorpholine.

Molecular Properties

Compound Name4-[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]thiomorpholine
PubChem CID123401440
Molecular FormulaC17H15F3N4OS
Molecular Weight380.40 g/mol
Exact Mass380.09
IUPAC Name4-[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]thiomorpholine
SMILESFC(F)(F)Oc1cccc(-c2cnc3ccc(N4CCSCC4)nn23)c1
InChIInChI=1S/C17H15F3N4OS/c18-17(19,20)25-13-3-1-2-12(10-13)14-11-21-15-4-5-16(22-24(14)15)23-6-8-26-9-7-23/h1-5,10-11H,6-9H2
InChIKeyZXAYFMGAROJAMM-UHFFFAOYSA-N
XLogP3.85
TPSA42.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-(oxan-4-ylmethoxy)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine
CID 66598032
6-[3-(methoxymethyl)phenyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine
CID 162753468
1,1-dioxo-N-[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]thian-4-imine
CID 162618429
N-[(1-ethylpiperidin-4-yl)methyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine
CID 25025645
cyclopropyl-(4-ethylpiperidin-1-yl)methanone;6-methyl-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine
CID 143671913
N-[4-[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]methanesulfonamide
CID 71235315
4-(3-bromoimidazo[1,2-b]pyridazin-6-yl)thiomorpholine
CID 169237155
3-[3-(trifluoromethoxy)phenyl]-5H-imidazo[1,2-b]pyridazin-6-one
CID 90142509
tert-butyl 4-[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]piperazine-1-carboxylate
CID 58857766
6-(2,7-diazaspiro[3.5]nonan-2-yl)-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine
CID 168873710
2,2-dimethyl-1-[4-(3-phenylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]propan-1-one
CID 86696459
N-(2-methylpropyl)-5-[3-(trifluoromethoxy)phenyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 58285852

Frequently Asked Questions

What is the IUPAC name of 4-[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]thiomorpholine?
The IUPAC name of 4-[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]thiomorpholine (CID 123401440) is 4-[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]thiomorpholine.
What is the SMILES notation for 4-[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]thiomorpholine?
The canonical SMILES for 4-[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]thiomorpholine is FC(F)(F)Oc1cccc(-c2cnc3ccc(N4CCSCC4)nn23)c1.
What is the InChIKey of 4-[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]thiomorpholine?
The InChIKey is ZXAYFMGAROJAMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N4OS/c18-17(19,20)25-13-3-1-2-12(10-13)14-11-21-15-4-5-16(22-24(14)15)23-6-8-26-9-7-23/h1-5,10-11H,6-9H2.
What are the key properties of 4-[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]thiomorpholine?
4-[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]thiomorpholine has a molecular weight of 380.40 g/mol, XLogP of 3.85, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]thiomorpholine is sourced from PubChem (CID 123401440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).