2-[3-(5-chloro-1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxyethanamine

C16H13ClN4O2 — CID 129171703

IUPAC2-[3-(5-chloro-1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxyethanamine
SMILESNCCOc1ccc2ncc(-c3cc4cc(Cl)ccc4o3)n2n1
InChIInChI=1S/C16H13ClN4O2/c17-11-1-2-13-10(7-11)8-14(23-13)12-9-19-15-3-4-16(20-21(12)15)22-6-5-18/h1-4,7-9H,5-6,18H2
InChIKeyWKAJMUHJGSDQLU-UHFFFAOYSA-N
MW328.76 g/mol
LogP3.13
Rot. Bonds4

About 2-[3-(5-chloro-1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxyethanamine

2-[3-(5-chloro-1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxyethanamine (PubChem CID 129171703) has the molecular formula C16H13ClN4O2 and a molecular weight of 328.76 g/mol. Its IUPAC name is 2-[3-(5-chloro-1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxyethanamine.

Molecular Properties

Compound Name2-[3-(5-chloro-1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxyethanamine
PubChem CID129171703
Molecular FormulaC16H13ClN4O2
Molecular Weight328.76 g/mol
Exact Mass328.07
IUPAC Name2-[3-(5-chloro-1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxyethanamine
SMILESNCCOc1ccc2ncc(-c3cc4cc(Cl)ccc4o3)n2n1
InChIInChI=1S/C16H13ClN4O2/c17-11-1-2-13-10(7-11)8-14(23-13)12-9-19-15-3-4-16(20-21(12)15)22-6-5-18/h1-4,7-9H,5-6,18H2
InChIKeyWKAJMUHJGSDQLU-UHFFFAOYSA-N
XLogP3.13
TPSA78.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.76
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

benzene;2-[3-(5-chloro-1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxyethanamine
CID 144548771
3-(5-chloro-1-benzofuran-2-yl)-6-(2-pyrrolidin-2-ylethoxy)imidazo[1,2-b]pyridazine
CID 78166712
2-[3-(6-methoxy-1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxyethanamine
CID 121440007
2-[[3-(5-chloro-1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxymethyl]morpholine
CID 78166691
6-chloro-3-(5-methoxy-1-benzofuran-2-yl)imidazo[1,2-b]pyridazine
CID 71491930
N-[2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxyethyl]propan-1-amine
CID 71077181
(1S)-2-(3-furo[3,2-c]pyridin-2-ylimidazo[1,2-b]pyridazin-6-yl)oxy-1-phenylethanamine
CID 71621729
1-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxyhexan-2-amine
CID 71468696
3-[3-(5-fluoro-1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxycyclobutan-1-amine
CID 71509431
3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-amine
CID 90317489
3-(1-benzofuran-2-yl)-6-[[(2S)-pyrrolidin-2-yl]methoxy]imidazo[1,2-b]pyridazine
CID 71744510
N-[2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxyethyl]-2-methylbenzamide
CID 90368822

Frequently Asked Questions

What is the IUPAC name of 2-[3-(5-chloro-1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxyethanamine?
The IUPAC name of 2-[3-(5-chloro-1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxyethanamine (CID 129171703) is 2-[3-(5-chloro-1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxyethanamine.
What is the SMILES notation for 2-[3-(5-chloro-1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxyethanamine?
The canonical SMILES for 2-[3-(5-chloro-1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxyethanamine is NCCOc1ccc2ncc(-c3cc4cc(Cl)ccc4o3)n2n1.
What is the InChIKey of 2-[3-(5-chloro-1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxyethanamine?
The InChIKey is WKAJMUHJGSDQLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN4O2/c17-11-1-2-13-10(7-11)8-14(23-13)12-9-19-15-3-4-16(20-21(12)15)22-6-5-18/h1-4,7-9H,5-6,18H2.
What are the key properties of 2-[3-(5-chloro-1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxyethanamine?
2-[3-(5-chloro-1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxyethanamine has a molecular weight of 328.76 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(5-chloro-1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxyethanamine is sourced from PubChem (CID 129171703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).