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

C18H11F3N4O — CID 138454301

IUPAC6-pyridin-4-yl-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine
SMILESFC(F)(F)Oc1cccc(-c2cnc3ccc(-c4ccncc4)nn23)c1
InChIInChI=1S/C18H11F3N4O/c19-18(20,21)26-14-3-1-2-13(10-14)16-11-23-17-5-4-15(24-25(16)17)12-6-8-22-9-7-12/h1-11H
InChIKeySFBZOJORTROAIE-UHFFFAOYSA-N
MW356.31 g/mol
LogP4.36
Rot. Bonds3

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

6-pyridin-4-yl-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine (PubChem CID 138454301) has the molecular formula C18H11F3N4O and a molecular weight of 356.31 g/mol. Its IUPAC name is 6-pyridin-4-yl-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name6-pyridin-4-yl-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine
PubChem CID138454301
Molecular FormulaC18H11F3N4O
Molecular Weight356.31 g/mol
Exact Mass356.09
IUPAC Name6-pyridin-4-yl-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine
SMILESFC(F)(F)Oc1cccc(-c2cnc3ccc(-c4ccncc4)nn23)c1
InChIInChI=1S/C18H11F3N4O/c19-18(20,21)26-14-3-1-2-13(10-14)16-11-23-17-5-4-15(24-25(16)17)12-6-8-22-9-7-12/h1-11H
InChIKeySFBZOJORTROAIE-UHFFFAOYSA-N
XLogP4.36
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.31
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-pyridin-4-yl-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine?
The IUPAC name of 6-pyridin-4-yl-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine (CID 138454301) is 6-pyridin-4-yl-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine.
What is the SMILES notation for 6-pyridin-4-yl-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine?
The canonical SMILES for 6-pyridin-4-yl-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine is FC(F)(F)Oc1cccc(-c2cnc3ccc(-c4ccncc4)nn23)c1.
What is the InChIKey of 6-pyridin-4-yl-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine?
The InChIKey is SFBZOJORTROAIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F3N4O/c19-18(20,21)26-14-3-1-2-13(10-14)16-11-23-17-5-4-15(24-25(16)17)12-6-8-22-9-7-12/h1-11H.
What are the key properties of 6-pyridin-4-yl-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine?
6-pyridin-4-yl-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine has a molecular weight of 356.31 g/mol, XLogP of 4.36, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pyridin-4-yl-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine is sourced from PubChem (CID 138454301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).