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

C18H18N4O2 — CID 71744538

IUPAC1-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-N-methylpropan-2-amine
SMILESCNC(C)COc1ccc2ncc(-c3cc4ccccc4o3)n2n1
InChIInChI=1S/C18H18N4O2/c1-12(19-2)11-23-18-8-7-17-20-10-14(22(17)21-18)16-9-13-5-3-4-6-15(13)24-16/h3-10,12,19H,11H2,1-2H3
InChIKeyHWKARIYDVGKSTP-UHFFFAOYSA-N
MW322.37 g/mol
LogP3.13
Rot. Bonds5

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

1-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-N-methylpropan-2-amine (PubChem CID 71744538) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 1-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-N-methylpropan-2-amine
PubChem CID71744538
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name1-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-N-methylpropan-2-amine
SMILESCNC(C)COc1ccc2ncc(-c3cc4ccccc4o3)n2n1
InChIInChI=1S/C18H18N4O2/c1-12(19-2)11-23-18-8-7-17-20-10-14(22(17)21-18)16-9-13-5-3-4-6-15(13)24-16/h3-10,12,19H,11H2,1-2H3
InChIKeyHWKARIYDVGKSTP-UHFFFAOYSA-N
XLogP3.13
TPSA64.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-N-methylpropan-2-amine?
The IUPAC name of 1-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-N-methylpropan-2-amine (CID 71744538) is 1-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-N-methylpropan-2-amine.
What is the SMILES notation for 1-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-N-methylpropan-2-amine?
The canonical SMILES for 1-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-N-methylpropan-2-amine is CNC(C)COc1ccc2ncc(-c3cc4ccccc4o3)n2n1.
What is the InChIKey of 1-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-N-methylpropan-2-amine?
The InChIKey is HWKARIYDVGKSTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-12(19-2)11-23-18-8-7-17-20-10-14(22(17)21-18)16-9-13-5-3-4-6-15(13)24-16/h3-10,12,19H,11H2,1-2H3.
What are the key properties of 1-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-N-methylpropan-2-amine?
1-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-N-methylpropan-2-amine has a molecular weight of 322.37 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-N-methylpropan-2-amine is sourced from PubChem (CID 71744538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).