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

C19H16F3N5O — CID 118288233

IUPAC3-methyl-6-[(1-methyl-4-phenylimidazol-2-yl)methoxy]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine
SMILESCc1c(C(F)(F)F)nc2ccc(OCc3nc(-c4ccccc4)cn3C)nn12
InChIInChI=1S/C19H16F3N5O/c1-12-18(19(20,21)22)24-15-8-9-17(25-27(12)15)28-11-16-23-14(10-26(16)2)13-6-4-3-5-7-13/h3-10H,11H2,1-2H3
InChIKeyOCUTYDYCRSAHIZ-UHFFFAOYSA-N
MW387.37 g/mol
LogP4.04
Rot. Bonds4

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

3-methyl-6-[(1-methyl-4-phenylimidazol-2-yl)methoxy]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine (PubChem CID 118288233) has the molecular formula C19H16F3N5O and a molecular weight of 387.37 g/mol. Its IUPAC name is 3-methyl-6-[(1-methyl-4-phenylimidazol-2-yl)methoxy]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name3-methyl-6-[(1-methyl-4-phenylimidazol-2-yl)methoxy]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine
PubChem CID118288233
Molecular FormulaC19H16F3N5O
Molecular Weight387.37 g/mol
Exact Mass387.13
IUPAC Name3-methyl-6-[(1-methyl-4-phenylimidazol-2-yl)methoxy]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine
SMILESCc1c(C(F)(F)F)nc2ccc(OCc3nc(-c4ccccc4)cn3C)nn12
InChIInChI=1S/C19H16F3N5O/c1-12-18(19(20,21)22)24-15-8-9-17(25-27(12)15)28-11-16-23-14(10-26(16)2)13-6-4-3-5-7-13/h3-10H,11H2,1-2H3
InChIKeyOCUTYDYCRSAHIZ-UHFFFAOYSA-N
XLogP4.04
TPSA57.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.37
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

7-(1,1-Dimethylethyl)-6-((1-ethyl-1H-1,2,4-triazol-5-yl)methoxy)-3-(2-fluorophenyl)-1,2,4-triazolo(4,3-b)pyridazine
CID 9908684
Mrk-409
CID 22609888
Taletrectinib
CID 72202474
E-2212
CID 46854987
3-(2,5-Difluorophenyl)-7-(1,1-dimethylethyl)-6-((1-methyl-1H-1,2,4-triazol-5-yl)methoxy)-1,2,4-triazolo(4,3-b)pyridazine
CID 9908880
Methyl substituted pyrazole, 27
CID 23648674
1-Methyl-2-[4-(1-methyl-4-pyridin-4-yl-1H-pyrazol-3-yl)phenoxymethyl]-1H-benzoimidazole
CID 23648644
Methyl substituted pyrazole, 28
CID 23648676
1-(5-Butoxypyridin-3-Yl)-4-Methyl-8-(Morpholin-4-Ylmethyl)[1,2,4]triazolo[4,3-A]quinoxaline
CID 71153408
US10399985, Example 41
CID 118288257
US10399985, Example 45
CID 122693993
3-Phenyl-6-(pyridin-2-ylmethoxy)-7,8,9,10-tetrahydro-[1,2,4]triazolo[3,4-a]phthalazine
CID 9798829

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-[(1-methyl-4-phenylimidazol-2-yl)methoxy]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine?
The IUPAC name of 3-methyl-6-[(1-methyl-4-phenylimidazol-2-yl)methoxy]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine (CID 118288233) is 3-methyl-6-[(1-methyl-4-phenylimidazol-2-yl)methoxy]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine.
What is the SMILES notation for 3-methyl-6-[(1-methyl-4-phenylimidazol-2-yl)methoxy]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine?
The canonical SMILES for 3-methyl-6-[(1-methyl-4-phenylimidazol-2-yl)methoxy]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine is Cc1c(C(F)(F)F)nc2ccc(OCc3nc(-c4ccccc4)cn3C)nn12.
What is the InChIKey of 3-methyl-6-[(1-methyl-4-phenylimidazol-2-yl)methoxy]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine?
The InChIKey is OCUTYDYCRSAHIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N5O/c1-12-18(19(20,21)22)24-15-8-9-17(25-27(12)15)28-11-16-23-14(10-26(16)2)13-6-4-3-5-7-13/h3-10H,11H2,1-2H3.
What are the key properties of 3-methyl-6-[(1-methyl-4-phenylimidazol-2-yl)methoxy]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine?
3-methyl-6-[(1-methyl-4-phenylimidazol-2-yl)methoxy]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine has a molecular weight of 387.37 g/mol, XLogP of 4.04, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-[(1-methyl-4-phenylimidazol-2-yl)methoxy]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine is sourced from PubChem (CID 118288233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).