2-[3-(6-methoxy-1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxyethanamine

C17H16N4O3 — CID 121440007

IUPAC2-[3-(6-methoxy-1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxyethanamine
SMILESCOc1ccc2cc(-c3cnc4ccc(OCCN)nn34)oc2c1
InChIInChI=1S/C17H16N4O3/c1-22-12-3-2-11-8-15(24-14(11)9-12)13-10-19-16-4-5-17(20-21(13)16)23-7-6-18/h2-5,8-10H,6-7,18H2,1H3
InChIKeyOVDNEDVRXZDMFG-UHFFFAOYSA-N
MW324.34 g/mol
LogP2.49
Rot. Bonds5

About 2-[3-(6-methoxy-1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxyethanamine

2-[3-(6-methoxy-1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxyethanamine (PubChem CID 121440007) has the molecular formula C17H16N4O3 and a molecular weight of 324.34 g/mol. Its IUPAC name is 2-[3-(6-methoxy-1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxyethanamine.

Molecular Properties

Compound Name2-[3-(6-methoxy-1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxyethanamine
PubChem CID121440007
Molecular FormulaC17H16N4O3
Molecular Weight324.34 g/mol
Exact Mass324.12
IUPAC Name2-[3-(6-methoxy-1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxyethanamine
SMILESCOc1ccc2cc(-c3cnc4ccc(OCCN)nn34)oc2c1
InChIInChI=1S/C17H16N4O3/c1-22-12-3-2-11-8-15(24-14(11)9-12)13-10-19-16-4-5-17(20-21(13)16)23-7-6-18/h2-5,8-10H,6-7,18H2,1H3
InChIKeyOVDNEDVRXZDMFG-UHFFFAOYSA-N
XLogP2.49
TPSA87.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(6-methoxy-1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxyethanamine?
The IUPAC name of 2-[3-(6-methoxy-1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxyethanamine (CID 121440007) is 2-[3-(6-methoxy-1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxyethanamine.
What is the SMILES notation for 2-[3-(6-methoxy-1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxyethanamine?
The canonical SMILES for 2-[3-(6-methoxy-1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxyethanamine is COc1ccc2cc(-c3cnc4ccc(OCCN)nn34)oc2c1.
What is the InChIKey of 2-[3-(6-methoxy-1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxyethanamine?
The InChIKey is OVDNEDVRXZDMFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3/c1-22-12-3-2-11-8-15(24-14(11)9-12)13-10-19-16-4-5-17(20-21(13)16)23-7-6-18/h2-5,8-10H,6-7,18H2,1H3.
What are the key properties of 2-[3-(6-methoxy-1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxyethanamine?
2-[3-(6-methoxy-1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxyethanamine has a molecular weight of 324.34 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(6-methoxy-1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxyethanamine is sourced from PubChem (CID 121440007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).