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

C21H16F3N3O2 — CID 162753468

IUPAC6-[3-(methoxymethyl)phenyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine
SMILESCOCc1cccc(-c2ccc3ncc(-c4cccc(OC(F)(F)F)c4)n3n2)c1
InChIInChI=1S/C21H16F3N3O2/c1-28-13-14-4-2-5-15(10-14)18-8-9-20-25-12-19(27(20)26-18)16-6-3-7-17(11-16)29-21(22,23)24/h2-12H,13H2,1H3
InChIKeyFHPSOTJKCUSZQC-UHFFFAOYSA-N
MW399.37 g/mol
LogP5.11
Rot. Bonds5

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

6-[3-(methoxymethyl)phenyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine (PubChem CID 162753468) has the molecular formula C21H16F3N3O2 and a molecular weight of 399.37 g/mol. Its IUPAC name is 6-[3-(methoxymethyl)phenyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name6-[3-(methoxymethyl)phenyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine
PubChem CID162753468
Molecular FormulaC21H16F3N3O2
Molecular Weight399.37 g/mol
Exact Mass399.12
IUPAC Name6-[3-(methoxymethyl)phenyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine
SMILESCOCc1cccc(-c2ccc3ncc(-c4cccc(OC(F)(F)F)c4)n3n2)c1
InChIInChI=1S/C21H16F3N3O2/c1-28-13-14-4-2-5-15(10-14)18-8-9-20-25-12-19(27(20)26-18)16-6-3-7-17(11-16)29-21(22,23)24/h2-12H,13H2,1H3
InChIKeyFHPSOTJKCUSZQC-UHFFFAOYSA-N
XLogP5.11
TPSA48.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.37
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[6-(3-methoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]methanol
CID 126673222
6-(oxan-4-ylmethoxy)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine
CID 66598032
4-[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]thiomorpholine
CID 123401440
N-[(1-ethylpiperidin-4-yl)methyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine
CID 25025645
3-(3,4-dimethoxyphenyl)-6-[3-(methylsulfonylmethyl)phenyl]imidazo[1,2-b]pyridazine
CID 160699273
[6-(3-methoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]methanol
CID 116854486
[6-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]methanol
CID 24729919
1,1-dioxo-N-[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]thian-4-imine
CID 162618429
cyclopropyl-(4-ethylpiperidin-1-yl)methanone;6-methyl-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine
CID 143671913
3-[3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]aniline
CID 155551586
N-[4-[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]methanesulfonamide
CID 71235315
N-(2-methylpropyl)-5-[3-(trifluoromethoxy)phenyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 58285852

Frequently Asked Questions

What is the IUPAC name of 6-[3-(methoxymethyl)phenyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine?
The IUPAC name of 6-[3-(methoxymethyl)phenyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine (CID 162753468) is 6-[3-(methoxymethyl)phenyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine.
What is the SMILES notation for 6-[3-(methoxymethyl)phenyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine?
The canonical SMILES for 6-[3-(methoxymethyl)phenyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine is COCc1cccc(-c2ccc3ncc(-c4cccc(OC(F)(F)F)c4)n3n2)c1.
What is the InChIKey of 6-[3-(methoxymethyl)phenyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine?
The InChIKey is FHPSOTJKCUSZQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3N3O2/c1-28-13-14-4-2-5-15(10-14)18-8-9-20-25-12-19(27(20)26-18)16-6-3-7-17(11-16)29-21(22,23)24/h2-12H,13H2,1H3.
What are the key properties of 6-[3-(methoxymethyl)phenyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine?
6-[3-(methoxymethyl)phenyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine has a molecular weight of 399.37 g/mol, XLogP of 5.11, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(methoxymethyl)phenyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine is sourced from PubChem (CID 162753468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).