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

C17H10F3N3OS — CID 155565998

IUPAC3-thiophen-2-yl-6-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine
SMILESFC(F)(F)Oc1cccc(-c2ccc3ncc(-c4cccs4)n3n2)c1
InChIInChI=1S/C17H10F3N3OS/c18-17(19,20)24-12-4-1-3-11(9-12)13-6-7-16-21-10-14(23(16)22-13)15-5-2-8-25-15/h1-10H
InChIKeyAPJNZOTVAZQVQP-UHFFFAOYSA-N
MW361.35 g/mol
LogP5.02
Rot. Bonds3

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

3-thiophen-2-yl-6-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine (PubChem CID 155565998) has the molecular formula C17H10F3N3OS and a molecular weight of 361.35 g/mol. Its IUPAC name is 3-thiophen-2-yl-6-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name3-thiophen-2-yl-6-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine
PubChem CID155565998
Molecular FormulaC17H10F3N3OS
Molecular Weight361.35 g/mol
Exact Mass361.05
IUPAC Name3-thiophen-2-yl-6-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine
SMILESFC(F)(F)Oc1cccc(-c2ccc3ncc(-c4cccs4)n3n2)c1
InChIInChI=1S/C17H10F3N3OS/c18-17(19,20)24-12-4-1-3-11(9-12)13-6-7-16-21-10-14(23(16)22-13)15-5-2-8-25-15/h1-10H
InChIKeyAPJNZOTVAZQVQP-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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Frequently Asked Questions

What is the IUPAC name of 3-thiophen-2-yl-6-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine?
The IUPAC name of 3-thiophen-2-yl-6-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine (CID 155565998) is 3-thiophen-2-yl-6-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine.
What is the SMILES notation for 3-thiophen-2-yl-6-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine?
The canonical SMILES for 3-thiophen-2-yl-6-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine is FC(F)(F)Oc1cccc(-c2ccc3ncc(-c4cccs4)n3n2)c1.
What is the InChIKey of 3-thiophen-2-yl-6-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine?
The InChIKey is APJNZOTVAZQVQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F3N3OS/c18-17(19,20)24-12-4-1-3-11(9-12)13-6-7-16-21-10-14(23(16)22-13)15-5-2-8-25-15/h1-10H.
What are the key properties of 3-thiophen-2-yl-6-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine?
3-thiophen-2-yl-6-[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 3-thiophen-2-yl-6-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine is sourced from PubChem (CID 155565998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).