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

C22H16F2N4O2 — CID 71295107

IUPAC2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-2-(2,4-difluorophenyl)ethanamine
SMILESNCC(Oc1ccc2ncc(-c3cc4ccccc4o3)n2n1)c1ccc(F)cc1F
InChIInChI=1S/C22H16F2N4O2/c23-14-5-6-15(16(24)10-14)20(11-25)30-22-8-7-21-26-12-17(28(21)27-22)19-9-13-3-1-2-4-18(13)29-19/h1-10,12,20H,11,25H2
InChIKeyUNZKJXCLZWPNAF-UHFFFAOYSA-N
MW406.39 g/mol
LogP4.50
Rot. Bonds5

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

2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-2-(2,4-difluorophenyl)ethanamine (PubChem CID 71295107) has the molecular formula C22H16F2N4O2 and a molecular weight of 406.39 g/mol. Its IUPAC name is 2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-2-(2,4-difluorophenyl)ethanamine.

Molecular Properties

Compound Name2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-2-(2,4-difluorophenyl)ethanamine
PubChem CID71295107
Molecular FormulaC22H16F2N4O2
Molecular Weight406.39 g/mol
Exact Mass406.12
IUPAC Name2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-2-(2,4-difluorophenyl)ethanamine
SMILESNCC(Oc1ccc2ncc(-c3cc4ccccc4o3)n2n1)c1ccc(F)cc1F
InChIInChI=1S/C22H16F2N4O2/c23-14-5-6-15(16(24)10-14)20(11-25)30-22-8-7-21-26-12-17(28(21)27-22)19-9-13-3-1-2-4-18(13)29-19/h1-10,12,20H,11,25H2
InChIKeyUNZKJXCLZWPNAF-UHFFFAOYSA-N
XLogP4.50
TPSA78.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.39
LogP ≤ 54.50
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-(2,4-difluorophenyl)ethanamine?
The IUPAC name of 2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-2-(2,4-difluorophenyl)ethanamine (CID 71295107) is 2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-2-(2,4-difluorophenyl)ethanamine.
What is the SMILES notation for 2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-2-(2,4-difluorophenyl)ethanamine?
The canonical SMILES for 2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-2-(2,4-difluorophenyl)ethanamine is NCC(Oc1ccc2ncc(-c3cc4ccccc4o3)n2n1)c1ccc(F)cc1F.
What is the InChIKey of 2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-2-(2,4-difluorophenyl)ethanamine?
The InChIKey is UNZKJXCLZWPNAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F2N4O2/c23-14-5-6-15(16(24)10-14)20(11-25)30-22-8-7-21-26-12-17(28(21)27-22)19-9-13-3-1-2-4-18(13)29-19/h1-10,12,20H,11,25H2.
What are the key properties of 2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-2-(2,4-difluorophenyl)ethanamine?
2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-2-(2,4-difluorophenyl)ethanamine has a molecular weight of 406.39 g/mol, XLogP of 4.50, 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-(2,4-difluorophenyl)ethanamine is sourced from PubChem (CID 71295107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).