(2R)-3-[3-(7-fluoro-1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-2-methylpropan-1-amine

C18H17FN4O2 — CID 129171520

IUPAC(2R)-3-[3-(7-fluoro-1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-2-methylpropan-1-amine
SMILESC[C@H](CN)COc1ccc2ncc(-c3cc4cccc(F)c4o3)n2n1
InChIInChI=1S/C18H17FN4O2/c1-11(8-20)10-24-17-6-5-16-21-9-14(23(16)22-17)15-7-12-3-2-4-13(19)18(12)25-15/h2-7,9,11H,8,10,20H2,1H3/t11-/m1/s1
InChIKeyXMRJIFBLNANGOV-LLVKDONJSA-N
MW340.36 g/mol
LogP3.26
Rot. Bonds5

About (2R)-3-[3-(7-fluoro-1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-2-methylpropan-1-amine

(2R)-3-[3-(7-fluoro-1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-2-methylpropan-1-amine (PubChem CID 129171520) has the molecular formula C18H17FN4O2 and a molecular weight of 340.36 g/mol. Its IUPAC name is (2R)-3-[3-(7-fluoro-1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-2-methylpropan-1-amine.

Molecular Properties

Compound Name(2R)-3-[3-(7-fluoro-1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-2-methylpropan-1-amine
PubChem CID129171520
Molecular FormulaC18H17FN4O2
Molecular Weight340.36 g/mol
Exact Mass340.13
IUPAC Name(2R)-3-[3-(7-fluoro-1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-2-methylpropan-1-amine
SMILESC[C@H](CN)COc1ccc2ncc(-c3cc4cccc(F)c4o3)n2n1
InChIInChI=1S/C18H17FN4O2/c1-11(8-20)10-24-17-6-5-16-21-9-14(23(16)22-17)15-7-12-3-2-4-13(19)18(12)25-15/h2-7,9,11H,8,10,20H2,1H3/t11-/m1/s1
InChIKeyXMRJIFBLNANGOV-LLVKDONJSA-N
XLogP3.26
TPSA78.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.36
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-3-[3-(7-fluoro-1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-2-methylpropan-1-amine?
The IUPAC name of (2R)-3-[3-(7-fluoro-1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-2-methylpropan-1-amine (CID 129171520) is (2R)-3-[3-(7-fluoro-1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-2-methylpropan-1-amine.
What is the SMILES notation for (2R)-3-[3-(7-fluoro-1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-2-methylpropan-1-amine?
The canonical SMILES for (2R)-3-[3-(7-fluoro-1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-2-methylpropan-1-amine is C[C@H](CN)COc1ccc2ncc(-c3cc4cccc(F)c4o3)n2n1.
What is the InChIKey of (2R)-3-[3-(7-fluoro-1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-2-methylpropan-1-amine?
The InChIKey is XMRJIFBLNANGOV-LLVKDONJSA-N. The full InChI is InChI=1S/C18H17FN4O2/c1-11(8-20)10-24-17-6-5-16-21-9-14(23(16)22-17)15-7-12-3-2-4-13(19)18(12)25-15/h2-7,9,11H,8,10,20H2,1H3/t11-/m1/s1.
What are the key properties of (2R)-3-[3-(7-fluoro-1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-2-methylpropan-1-amine?
(2R)-3-[3-(7-fluoro-1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-2-methylpropan-1-amine has a molecular weight of 340.36 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-[3-(7-fluoro-1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-2-methylpropan-1-amine is sourced from PubChem (CID 129171520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).