2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-2-(4-fluorophenyl)ethanamine

C22H17FN4O2 — CID 71295123

IUPAC2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-2-(4-fluorophenyl)ethanamine
SMILESNCC(Oc1ccc2ncc(-c3cc4ccccc4o3)n2n1)c1ccc(F)cc1
InChIInChI=1S/C22H17FN4O2/c23-16-7-5-14(6-8-16)20(12-24)29-22-10-9-21-25-13-17(27(21)26-22)19-11-15-3-1-2-4-18(15)28-19/h1-11,13,20H,12,24H2
InChIKeyIENFLKYSONYQRS-UHFFFAOYSA-N
MW388.40 g/mol
LogP4.36
Rot. Bonds5

About 2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-2-(4-fluorophenyl)ethanamine

2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-2-(4-fluorophenyl)ethanamine (PubChem CID 71295123) has the molecular formula C22H17FN4O2 and a molecular weight of 388.40 g/mol. Its IUPAC name is 2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-2-(4-fluorophenyl)ethanamine.

Molecular Properties

Compound Name2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-2-(4-fluorophenyl)ethanamine
PubChem CID71295123
Molecular FormulaC22H17FN4O2
Molecular Weight388.40 g/mol
Exact Mass388.13
IUPAC Name2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-2-(4-fluorophenyl)ethanamine
SMILESNCC(Oc1ccc2ncc(-c3cc4ccccc4o3)n2n1)c1ccc(F)cc1
InChIInChI=1S/C22H17FN4O2/c23-16-7-5-14(6-8-16)20(12-24)29-22-10-9-21-25-13-17(27(21)26-22)19-11-15-3-1-2-4-18(15)28-19/h1-11,13,20H,12,24H2
InChIKeyIENFLKYSONYQRS-UHFFFAOYSA-N
XLogP4.36
TPSA78.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.40
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-2-(4-fluorophenyl)ethanamine?
The IUPAC name of 2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-2-(4-fluorophenyl)ethanamine (CID 71295123) is 2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-2-(4-fluorophenyl)ethanamine.
What is the SMILES notation for 2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-2-(4-fluorophenyl)ethanamine?
The canonical SMILES for 2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-2-(4-fluorophenyl)ethanamine is NCC(Oc1ccc2ncc(-c3cc4ccccc4o3)n2n1)c1ccc(F)cc1.
What is the InChIKey of 2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-2-(4-fluorophenyl)ethanamine?
The InChIKey is IENFLKYSONYQRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN4O2/c23-16-7-5-14(6-8-16)20(12-24)29-22-10-9-21-25-13-17(27(21)26-22)19-11-15-3-1-2-4-18(15)28-19/h1-11,13,20H,12,24H2.
What are the key properties of 2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-2-(4-fluorophenyl)ethanamine?
2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-2-(4-fluorophenyl)ethanamine has a molecular weight of 388.40 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-2-(4-fluorophenyl)ethanamine is sourced from PubChem (CID 71295123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).