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

C20H22N4O2 — CID 71744437

IUPAC3-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-N-propan-2-ylpropan-1-amine
SMILESCC(C)NCCCOc1ccc2ncc(-c3cc4ccccc4o3)n2n1
InChIInChI=1S/C20H22N4O2/c1-14(2)21-10-5-11-25-20-9-8-19-22-13-16(24(19)23-20)18-12-15-6-3-4-7-17(15)26-18/h3-4,6-9,12-14,21H,5,10-11H2,1-2H3
InChIKeyBHAGDZVLGOTYEF-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.91
Rot. Bonds7

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

3-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-N-propan-2-ylpropan-1-amine (PubChem CID 71744437) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 3-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-N-propan-2-ylpropan-1-amine
PubChem CID71744437
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name3-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-N-propan-2-ylpropan-1-amine
SMILESCC(C)NCCCOc1ccc2ncc(-c3cc4ccccc4o3)n2n1
InChIInChI=1S/C20H22N4O2/c1-14(2)21-10-5-11-25-20-9-8-19-22-13-16(24(19)23-20)18-12-15-6-3-4-7-17(15)26-18/h3-4,6-9,12-14,21H,5,10-11H2,1-2H3
InChIKeyBHAGDZVLGOTYEF-UHFFFAOYSA-N
XLogP3.91
TPSA64.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-N-propan-2-ylpropan-1-amine?
The IUPAC name of 3-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-N-propan-2-ylpropan-1-amine (CID 71744437) is 3-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 3-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 3-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-N-propan-2-ylpropan-1-amine is CC(C)NCCCOc1ccc2ncc(-c3cc4ccccc4o3)n2n1.
What is the InChIKey of 3-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-N-propan-2-ylpropan-1-amine?
The InChIKey is BHAGDZVLGOTYEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-14(2)21-10-5-11-25-20-9-8-19-22-13-16(24(19)23-20)18-12-15-6-3-4-7-17(15)26-18/h3-4,6-9,12-14,21H,5,10-11H2,1-2H3.
What are the key properties of 3-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-N-propan-2-ylpropan-1-amine?
3-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-N-propan-2-ylpropan-1-amine has a molecular weight of 350.42 g/mol, XLogP of 3.91, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 71744437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).