[3-[3-[3-(trifluoromethyl)anilino]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanol

C20H15F3N4O — CID 134806351

IUPAC[3-[3-[3-(trifluoromethyl)anilino]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanol
SMILESOCc1cccc(-c2ccc3ncc(Nc4cccc(C(F)(F)F)c4)n3n2)c1
InChIInChI=1S/C20H15F3N4O/c21-20(22,23)15-5-2-6-16(10-15)25-19-11-24-18-8-7-17(26-27(18)19)14-4-1-3-13(9-14)12-28/h1-11,25,28H,12H2
InChIKeyDLKITFVGAPGWJZ-UHFFFAOYSA-N
MW384.36 g/mol
LogP4.65
Rot. Bonds4

About [3-[3-[3-(trifluoromethyl)anilino]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanol

[3-[3-[3-(trifluoromethyl)anilino]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanol (PubChem CID 134806351) has the molecular formula C20H15F3N4O and a molecular weight of 384.36 g/mol. Its IUPAC name is [3-[3-[3-(trifluoromethyl)anilino]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanol.

Molecular Properties

Compound Name[3-[3-[3-(trifluoromethyl)anilino]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanol
PubChem CID134806351
Molecular FormulaC20H15F3N4O
Molecular Weight384.36 g/mol
Exact Mass384.12
IUPAC Name[3-[3-[3-(trifluoromethyl)anilino]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanol
SMILESOCc1cccc(-c2ccc3ncc(Nc4cccc(C(F)(F)F)c4)n3n2)c1
InChIInChI=1S/C20H15F3N4O/c21-20(22,23)15-5-2-6-16(10-15)25-19-11-24-18-8-7-17(26-27(18)19)14-4-1-3-13(9-14)12-28/h1-11,25,28H,12H2
InChIKeyDLKITFVGAPGWJZ-UHFFFAOYSA-N
XLogP4.65
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.36
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-[3-[3-(trifluoromethyl)anilino]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanol?
The IUPAC name of [3-[3-[3-(trifluoromethyl)anilino]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanol (CID 134806351) is [3-[3-[3-(trifluoromethyl)anilino]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanol.
What is the SMILES notation for [3-[3-[3-(trifluoromethyl)anilino]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanol?
The canonical SMILES for [3-[3-[3-(trifluoromethyl)anilino]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanol is OCc1cccc(-c2ccc3ncc(Nc4cccc(C(F)(F)F)c4)n3n2)c1.
What is the InChIKey of [3-[3-[3-(trifluoromethyl)anilino]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanol?
The InChIKey is DLKITFVGAPGWJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N4O/c21-20(22,23)15-5-2-6-16(10-15)25-19-11-24-18-8-7-17(26-27(18)19)14-4-1-3-13(9-14)12-28/h1-11,25,28H,12H2.
What are the key properties of [3-[3-[3-(trifluoromethyl)anilino]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanol?
[3-[3-[3-(trifluoromethyl)anilino]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanol has a molecular weight of 384.36 g/mol, XLogP of 4.65, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-[3-(trifluoromethyl)anilino]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanol is sourced from PubChem (CID 134806351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).