2-methyl-4-[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]oxybutan-2-ol

C18H18F3N3O3 — CID 66598091

IUPAC2-methyl-4-[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]oxybutan-2-ol
SMILESCC(C)(O)CCOc1ccc2ncc(-c3cccc(OC(F)(F)F)c3)n2n1
InChIInChI=1S/C18H18F3N3O3/c1-17(2,25)8-9-26-16-7-6-15-22-11-14(24(15)23-16)12-4-3-5-13(10-12)27-18(19,20)21/h3-7,10-11,25H,8-9H2,1-2H3
InChIKeyUGKMPLYBHUGGCI-UHFFFAOYSA-N
MW381.35 g/mol
LogP3.83
Rot. Bonds6

About 2-methyl-4-[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]oxybutan-2-ol

2-methyl-4-[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]oxybutan-2-ol (PubChem CID 66598091) has the molecular formula C18H18F3N3O3 and a molecular weight of 381.35 g/mol. Its IUPAC name is 2-methyl-4-[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]oxybutan-2-ol.

Molecular Properties

Compound Name2-methyl-4-[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]oxybutan-2-ol
PubChem CID66598091
Molecular FormulaC18H18F3N3O3
Molecular Weight381.35 g/mol
Exact Mass381.13
IUPAC Name2-methyl-4-[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]oxybutan-2-ol
SMILESCC(C)(O)CCOc1ccc2ncc(-c3cccc(OC(F)(F)F)c3)n2n1
InChIInChI=1S/C18H18F3N3O3/c1-17(2,25)8-9-26-16-7-6-15-22-11-14(24(15)23-16)12-4-3-5-13(10-12)27-18(19,20)21/h3-7,10-11,25H,8-9H2,1-2H3
InChIKeyUGKMPLYBHUGGCI-UHFFFAOYSA-N
XLogP3.83
TPSA68.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.35
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]oxybutan-2-ol?
The IUPAC name of 2-methyl-4-[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]oxybutan-2-ol (CID 66598091) is 2-methyl-4-[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]oxybutan-2-ol.
What is the SMILES notation for 2-methyl-4-[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]oxybutan-2-ol?
The canonical SMILES for 2-methyl-4-[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]oxybutan-2-ol is CC(C)(O)CCOc1ccc2ncc(-c3cccc(OC(F)(F)F)c3)n2n1.
What is the InChIKey of 2-methyl-4-[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]oxybutan-2-ol?
The InChIKey is UGKMPLYBHUGGCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N3O3/c1-17(2,25)8-9-26-16-7-6-15-22-11-14(24(15)23-16)12-4-3-5-13(10-12)27-18(19,20)21/h3-7,10-11,25H,8-9H2,1-2H3.
What are the key properties of 2-methyl-4-[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]oxybutan-2-ol?
2-methyl-4-[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]oxybutan-2-ol has a molecular weight of 381.35 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]oxybutan-2-ol is sourced from PubChem (CID 66598091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).