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

C18H14F3N5O — CID 122693993

IUPAC6-[(1-methyl-4-phenylimidazol-2-yl)methoxy]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine
SMILESCn1cc(-c2ccccc2)nc1COc1ccc2nc(C(F)(F)F)cn2n1
InChIInChI=1S/C18H14F3N5O/c1-25-9-13(12-5-3-2-4-6-12)22-16(25)11-27-17-8-7-15-23-14(18(19,20)21)10-26(15)24-17/h2-10H,11H2,1H3
InChIKeyFKHKZSURKSVLRO-UHFFFAOYSA-N
MW373.34 g/mol
LogP3.73
Rot. Bonds4

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

6-[(1-methyl-4-phenylimidazol-2-yl)methoxy]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine (PubChem CID 122693993) has the molecular formula C18H14F3N5O and a molecular weight of 373.34 g/mol. Its IUPAC name is 6-[(1-methyl-4-phenylimidazol-2-yl)methoxy]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name6-[(1-methyl-4-phenylimidazol-2-yl)methoxy]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine
PubChem CID122693993
Molecular FormulaC18H14F3N5O
Molecular Weight373.34 g/mol
Exact Mass373.12
IUPAC Name6-[(1-methyl-4-phenylimidazol-2-yl)methoxy]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine
SMILESCn1cc(-c2ccccc2)nc1COc1ccc2nc(C(F)(F)F)cn2n1
InChIInChI=1S/C18H14F3N5O/c1-25-9-13(12-5-3-2-4-6-12)22-16(25)11-27-17-8-7-15-23-14(18(19,20)21)10-26(15)24-17/h2-10H,11H2,1H3
InChIKeyFKHKZSURKSVLRO-UHFFFAOYSA-N
XLogP3.73
TPSA57.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.34
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 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
US10399985, Example 36
CID 118288233
US10399985, Example 41
CID 118288257
3-Phenyl-6-(pyridin-2-ylmethoxy)-7,8,9,10-tetrahydro-[1,2,4]triazolo[3,4-a]phthalazine
CID 9798829
TP-13
CID 9799023

Frequently Asked Questions

What is the IUPAC name of 6-[(1-methyl-4-phenylimidazol-2-yl)methoxy]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine?
The IUPAC name of 6-[(1-methyl-4-phenylimidazol-2-yl)methoxy]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine (CID 122693993) is 6-[(1-methyl-4-phenylimidazol-2-yl)methoxy]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine.
What is the SMILES notation for 6-[(1-methyl-4-phenylimidazol-2-yl)methoxy]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine?
The canonical SMILES for 6-[(1-methyl-4-phenylimidazol-2-yl)methoxy]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine is Cn1cc(-c2ccccc2)nc1COc1ccc2nc(C(F)(F)F)cn2n1.
What is the InChIKey of 6-[(1-methyl-4-phenylimidazol-2-yl)methoxy]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine?
The InChIKey is FKHKZSURKSVLRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N5O/c1-25-9-13(12-5-3-2-4-6-12)22-16(25)11-27-17-8-7-15-23-14(18(19,20)21)10-26(15)24-17/h2-10H,11H2,1H3.
What are the key properties of 6-[(1-methyl-4-phenylimidazol-2-yl)methoxy]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine?
6-[(1-methyl-4-phenylimidazol-2-yl)methoxy]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine has a molecular weight of 373.34 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-methyl-4-phenylimidazol-2-yl)methoxy]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine is sourced from PubChem (CID 122693993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).