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

C19H13F3N4O2 — CID 162753469

IUPAC6-(3-methoxy-4-pyridinyl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine
SMILESCOc1cnccc1-c1ccc2ncc(-c3cccc(OC(F)(F)F)c3)n2n1
InChIInChI=1S/C19H13F3N4O2/c1-27-17-11-23-8-7-14(17)15-5-6-18-24-10-16(26(18)25-15)12-3-2-4-13(9-12)28-19(20,21)22/h2-11H,1H3
InChIKeyLHGDJUDCZYLCOA-UHFFFAOYSA-N
MW386.33 g/mol
LogP4.37
Rot. Bonds4

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

6-(3-methoxy-4-pyridinyl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine (PubChem CID 162753469) has the molecular formula C19H13F3N4O2 and a molecular weight of 386.33 g/mol. Its IUPAC name is 6-(3-methoxy-4-pyridinyl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name6-(3-methoxy-4-pyridinyl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine
PubChem CID162753469
Molecular FormulaC19H13F3N4O2
Molecular Weight386.33 g/mol
Exact Mass386.10
IUPAC Name6-(3-methoxy-4-pyridinyl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine
SMILESCOc1cnccc1-c1ccc2ncc(-c3cccc(OC(F)(F)F)c3)n2n1
InChIInChI=1S/C19H13F3N4O2/c1-27-17-11-23-8-7-14(17)15-5-6-18-24-10-16(26(18)25-15)12-3-2-4-13(9-12)28-19(20,21)22/h2-11H,1H3
InChIKeyLHGDJUDCZYLCOA-UHFFFAOYSA-N
XLogP4.37
TPSA61.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.33
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(3-methoxy-4-pyridinyl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine?
The IUPAC name of 6-(3-methoxy-4-pyridinyl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine (CID 162753469) is 6-(3-methoxy-4-pyridinyl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine.
What is the SMILES notation for 6-(3-methoxy-4-pyridinyl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine?
The canonical SMILES for 6-(3-methoxy-4-pyridinyl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine is COc1cnccc1-c1ccc2ncc(-c3cccc(OC(F)(F)F)c3)n2n1.
What is the InChIKey of 6-(3-methoxy-4-pyridinyl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine?
The InChIKey is LHGDJUDCZYLCOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F3N4O2/c1-27-17-11-23-8-7-14(17)15-5-6-18-24-10-16(26(18)25-15)12-3-2-4-13(9-12)28-19(20,21)22/h2-11H,1H3.
What are the key properties of 6-(3-methoxy-4-pyridinyl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine?
6-(3-methoxy-4-pyridinyl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine has a molecular weight of 386.33 g/mol, XLogP of 4.37, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methoxy-4-pyridinyl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine is sourced from PubChem (CID 162753469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).