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

C20H15F3N4O — CID 57407282

IUPAC6-ethoxy-2-[3-pyridin-2-yl-4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine
SMILESCCOc1ccc2nc(-c3ccc(C(F)(F)F)c(-c4ccccn4)c3)cn2n1
InChIInChI=1S/C20H15F3N4O/c1-2-28-19-9-8-18-25-17(12-27(18)26-19)13-6-7-15(20(21,22)23)14(11-13)16-5-3-4-10-24-16/h3-12H,2H2,1H3
InChIKeyPXYRGMUKVGNWRE-UHFFFAOYSA-N
MW384.36 g/mol
LogP4.88
Rot. Bonds4

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

6-ethoxy-2-[3-pyridin-2-yl-4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine (PubChem CID 57407282) has the molecular formula C20H15F3N4O and a molecular weight of 384.36 g/mol. Its IUPAC name is 6-ethoxy-2-[3-pyridin-2-yl-4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name6-ethoxy-2-[3-pyridin-2-yl-4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine
PubChem CID57407282
Molecular FormulaC20H15F3N4O
Molecular Weight384.36 g/mol
Exact Mass384.12
IUPAC Name6-ethoxy-2-[3-pyridin-2-yl-4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine
SMILESCCOc1ccc2nc(-c3ccc(C(F)(F)F)c(-c4ccccn4)c3)cn2n1
InChIInChI=1S/C20H15F3N4O/c1-2-28-19-9-8-18-25-17(12-27(18)26-19)13-6-7-15(20(21,22)23)14(11-13)16-5-3-4-10-24-16/h3-12H,2H2,1H3
InChIKeyPXYRGMUKVGNWRE-UHFFFAOYSA-N
XLogP4.88
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.36
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-2-[3-pyridin-2-yl-4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine?
The IUPAC name of 6-ethoxy-2-[3-pyridin-2-yl-4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine (CID 57407282) is 6-ethoxy-2-[3-pyridin-2-yl-4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine.
What is the SMILES notation for 6-ethoxy-2-[3-pyridin-2-yl-4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine?
The canonical SMILES for 6-ethoxy-2-[3-pyridin-2-yl-4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine is CCOc1ccc2nc(-c3ccc(C(F)(F)F)c(-c4ccccn4)c3)cn2n1.
What is the InChIKey of 6-ethoxy-2-[3-pyridin-2-yl-4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine?
The InChIKey is PXYRGMUKVGNWRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N4O/c1-2-28-19-9-8-18-25-17(12-27(18)26-19)13-6-7-15(20(21,22)23)14(11-13)16-5-3-4-10-24-16/h3-12H,2H2,1H3.
What are the key properties of 6-ethoxy-2-[3-pyridin-2-yl-4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine?
6-ethoxy-2-[3-pyridin-2-yl-4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine has a molecular weight of 384.36 g/mol, XLogP of 4.88, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-2-[3-pyridin-2-yl-4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine is sourced from PubChem (CID 57407282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).