6-(4-chlorophenyl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine

C19H11ClF3N3O — CID 162753489

IUPAC6-(4-chlorophenyl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine
SMILESFC(F)(F)Oc1cccc(-c2cnc3ccc(-c4ccc(Cl)cc4)nn23)c1
InChIInChI=1S/C19H11ClF3N3O/c20-14-6-4-12(5-7-14)16-8-9-18-24-11-17(26(18)25-16)13-2-1-3-15(10-13)27-19(21,22)23/h1-11H
InChIKeyVGQMAFXPKSMJEV-UHFFFAOYSA-N
MW389.76 g/mol
LogP5.62
Rot. Bonds3

About 6-(4-chlorophenyl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine

6-(4-chlorophenyl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine (PubChem CID 162753489) has the molecular formula C19H11ClF3N3O and a molecular weight of 389.76 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name6-(4-chlorophenyl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine
PubChem CID162753489
Molecular FormulaC19H11ClF3N3O
Molecular Weight389.76 g/mol
Exact Mass389.05
IUPAC Name6-(4-chlorophenyl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine
SMILESFC(F)(F)Oc1cccc(-c2cnc3ccc(-c4ccc(Cl)cc4)nn23)c1
InChIInChI=1S/C19H11ClF3N3O/c20-14-6-4-12(5-7-14)16-8-9-18-24-11-17(26(18)25-16)13-2-1-3-15(10-13)27-19(21,22)23/h1-11H
InChIKeyVGQMAFXPKSMJEV-UHFFFAOYSA-N
XLogP5.62
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.76
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine?
The IUPAC name of 6-(4-chlorophenyl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine (CID 162753489) is 6-(4-chlorophenyl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine.
What is the SMILES notation for 6-(4-chlorophenyl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine?
The canonical SMILES for 6-(4-chlorophenyl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine is FC(F)(F)Oc1cccc(-c2cnc3ccc(-c4ccc(Cl)cc4)nn23)c1.
What is the InChIKey of 6-(4-chlorophenyl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine?
The InChIKey is VGQMAFXPKSMJEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11ClF3N3O/c20-14-6-4-12(5-7-14)16-8-9-18-24-11-17(26(18)25-16)13-2-1-3-15(10-13)27-19(21,22)23/h1-11H.
What are the key properties of 6-(4-chlorophenyl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine?
6-(4-chlorophenyl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine has a molecular weight of 389.76 g/mol, XLogP of 5.62, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine is sourced from PubChem (CID 162753489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).