6-thiophen-2-yl-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine

C17H10F3N3OS — CID 155547024

IUPAC6-thiophen-2-yl-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine
SMILESFC(F)(F)Oc1cccc(-c2cnc3ccc(-c4cccs4)nn23)c1
InChIInChI=1S/C17H10F3N3OS/c18-17(19,20)24-12-4-1-3-11(9-12)14-10-21-16-7-6-13(22-23(14)16)15-5-2-8-25-15/h1-10H
InChIKeyFHRPQKRXEWFRLC-UHFFFAOYSA-N
MW361.35 g/mol
LogP5.02
Rot. Bonds3

About 6-thiophen-2-yl-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine

6-thiophen-2-yl-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine (PubChem CID 155547024) has the molecular formula C17H10F3N3OS and a molecular weight of 361.35 g/mol. Its IUPAC name is 6-thiophen-2-yl-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name6-thiophen-2-yl-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine
PubChem CID155547024
Molecular FormulaC17H10F3N3OS
Molecular Weight361.35 g/mol
Exact Mass361.05
IUPAC Name6-thiophen-2-yl-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine
SMILESFC(F)(F)Oc1cccc(-c2cnc3ccc(-c4cccs4)nn23)c1
InChIInChI=1S/C17H10F3N3OS/c18-17(19,20)24-12-4-1-3-11(9-12)14-10-21-16-7-6-13(22-23(14)16)15-5-2-8-25-15/h1-10H
InChIKeyFHRPQKRXEWFRLC-UHFFFAOYSA-N
XLogP5.02
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.35
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Lmtk3-IN-1
CID 138454301
6-(4-Methoxyphenyl)-5-methyl-3-(3-thienyl)pyrazolo[1,5-a]pyrimidin-7-ylamine
CID 1481773
N-propyl-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine
CID 57391268
N-(piperidin-4-ylmethyl)-3-(3-(trifluoromethoxy)phenyl)imidazo[1,2-b]pyridazin-6-amine
CID 57403491
US9884868, Example 259''
CID 122510625
N-[(4-methoxyphenyl)methyl]-6-methyl-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-amine
CID 858049
3-(Benzenesulfonyl)-5-(3-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 1480646
6-Butylsulfanyl-2-[4-(2-methoxyethoxy)phenyl]imidazo[1,2-b]pyridazine
CID 11302780
6-Butylsulfanyl-2-[4-(2-ethoxyethoxy)phenyl]imidazo[1,2-b]pyridazine
CID 11372173
2-[4-(2-Methoxyethoxy)phenyl]-6-propan-2-ylsulfanylimidazo[1,2-b]pyridazine
CID 11739416
2-Imidazol-1-yl-3-[3-(3-methylsulfonylphenoxy)phenyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 46877578
2-[4-(2-Ethoxyethoxy)phenyl]-6-(2-methylpropylsulfanyl)imidazo[1,2-b]pyridazine
CID 56683458

Frequently Asked Questions

What is the IUPAC name of 6-thiophen-2-yl-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine?
The IUPAC name of 6-thiophen-2-yl-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine (CID 155547024) is 6-thiophen-2-yl-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine.
What is the SMILES notation for 6-thiophen-2-yl-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine?
The canonical SMILES for 6-thiophen-2-yl-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine is FC(F)(F)Oc1cccc(-c2cnc3ccc(-c4cccs4)nn23)c1.
What is the InChIKey of 6-thiophen-2-yl-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine?
The InChIKey is FHRPQKRXEWFRLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F3N3OS/c18-17(19,20)24-12-4-1-3-11(9-12)14-10-21-16-7-6-13(22-23(14)16)15-5-2-8-25-15/h1-10H.
What are the key properties of 6-thiophen-2-yl-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine?
6-thiophen-2-yl-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine has a molecular weight of 361.35 g/mol, XLogP of 5.02, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-thiophen-2-yl-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine is sourced from PubChem (CID 155547024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).