8-methoxy-3-methyl-6-[(1-methyl-4-phenylimidazol-2-yl)methoxy]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine

C20H18F3N5O2 — CID 118288257

IUPAC8-methoxy-3-methyl-6-[(1-methyl-4-phenylimidazol-2-yl)methoxy]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine
SMILESCOc1cc(OCc2nc(-c3ccccc3)cn2C)nn2c(C)c(C(F)(F)F)nc12
InChIInChI=1S/C20H18F3N5O2/c1-12-18(20(21,22)23)25-19-15(29-3)9-17(26-28(12)19)30-11-16-24-14(10-27(16)2)13-7-5-4-6-8-13/h4-10H,11H2,1-3H3
InChIKeyUZMQCOLVBSXEAT-UHFFFAOYSA-N
MW417.39 g/mol
LogP4.04
Rot. Bonds5

About 8-methoxy-3-methyl-6-[(1-methyl-4-phenylimidazol-2-yl)methoxy]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine

8-methoxy-3-methyl-6-[(1-methyl-4-phenylimidazol-2-yl)methoxy]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine (PubChem CID 118288257) has the molecular formula C20H18F3N5O2 and a molecular weight of 417.39 g/mol. Its IUPAC name is 8-methoxy-3-methyl-6-[(1-methyl-4-phenylimidazol-2-yl)methoxy]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name8-methoxy-3-methyl-6-[(1-methyl-4-phenylimidazol-2-yl)methoxy]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine
PubChem CID118288257
Molecular FormulaC20H18F3N5O2
Molecular Weight417.39 g/mol
Exact Mass417.14
IUPAC Name8-methoxy-3-methyl-6-[(1-methyl-4-phenylimidazol-2-yl)methoxy]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine
SMILESCOc1cc(OCc2nc(-c3ccccc3)cn2C)nn2c(C)c(C(F)(F)F)nc12
InChIInChI=1S/C20H18F3N5O2/c1-12-18(20(21,22)23)25-19-15(29-3)9-17(26-28(12)19)30-11-16-24-14(10-27(16)2)13-7-5-4-6-8-13/h4-10H,11H2,1-3H3
InChIKeyUZMQCOLVBSXEAT-UHFFFAOYSA-N
XLogP4.04
TPSA66.47 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.39
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

Methyl substituted pyrazole, 27
CID 23648674
1-(5-Butoxypyridin-3-Yl)-4-Methyl-8-(Morpholin-4-Ylmethyl)[1,2,4]triazolo[4,3-A]quinoxaline
CID 71153408
US10399985, Example 36
CID 118288233
US10399985, Example 45
CID 122693993
7-(2-fluorophenyl)-2-((2-methyl-2H-1,2,4-triazol-3-yl)methoxy)-3-phenylpyrazolo[1,5-d][1,2,4]triazine
CID 9865768
3,7-bis(2-fluorophenyl)-2-((2-methyl-2H-1,2,4-triazol-3-yl)methoxy)pyrazolo[1,5-d][1,2,4]triazine
CID 9888315
7-(2-fluorophenyl)-3-(3-fluorophenyl)-2-((2-methyl-2H-1,2,4-triazol-3-yl)methoxy)pyrazolo[1,5-d][1,2,4]triazine
CID 9909977
7-(2-Fluorophenyl)-2-(2-methyl-2H-[1,2,4]triazol-3-ylmethoxy)-3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-d][1,2,4]triazine
CID 18406840
3-(2,6-difluorophenyl)-7-(2-fluorophenyl)-2-((2-methyl-2H-1,2,4-triazol-3-yl)methoxy)pyrazolo[1,5-d][1,2,4]triazine
CID 18406861
3-(2-fluorophenyl)-7-(4-fluorophenyl)-2-((2-methyl-2H-1,2,4-triazol-3-yl)methoxy)pyrazolo[1,5-d][1,2,4]triazine
CID 18406877
3-(2,5-difluorophenyl)-7-(2-fluorophenyl)-2-((2-methyl-2H-1,2,4-triazol-3-yl)methoxy)pyrazolo[1,5-d][1,2,4]triazine
CID 18406904
7-(2,6-Difluorophenyl)-3-(2-fluorophenyl)-2-(2-methyl-2H-[1,2,4]triazol-3-ylmethoxy)pyrazolo[1,5-d][1,2,4]triazine
CID 18406905

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-3-methyl-6-[(1-methyl-4-phenylimidazol-2-yl)methoxy]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine?
The IUPAC name of 8-methoxy-3-methyl-6-[(1-methyl-4-phenylimidazol-2-yl)methoxy]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine (CID 118288257) is 8-methoxy-3-methyl-6-[(1-methyl-4-phenylimidazol-2-yl)methoxy]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine.
What is the SMILES notation for 8-methoxy-3-methyl-6-[(1-methyl-4-phenylimidazol-2-yl)methoxy]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine?
The canonical SMILES for 8-methoxy-3-methyl-6-[(1-methyl-4-phenylimidazol-2-yl)methoxy]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine is COc1cc(OCc2nc(-c3ccccc3)cn2C)nn2c(C)c(C(F)(F)F)nc12.
What is the InChIKey of 8-methoxy-3-methyl-6-[(1-methyl-4-phenylimidazol-2-yl)methoxy]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine?
The InChIKey is UZMQCOLVBSXEAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N5O2/c1-12-18(20(21,22)23)25-19-15(29-3)9-17(26-28(12)19)30-11-16-24-14(10-27(16)2)13-7-5-4-6-8-13/h4-10H,11H2,1-3H3.
What are the key properties of 8-methoxy-3-methyl-6-[(1-methyl-4-phenylimidazol-2-yl)methoxy]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine?
8-methoxy-3-methyl-6-[(1-methyl-4-phenylimidazol-2-yl)methoxy]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine has a molecular weight of 417.39 g/mol, XLogP of 4.04, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-3-methyl-6-[(1-methyl-4-phenylimidazol-2-yl)methoxy]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine is sourced from PubChem (CID 118288257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).