3-(6-methoxy-1-benzofuran-2-yl)-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]imidazo[1,2-b]pyridazine

C22H24N4O3 — CID 121440040

IUPAC3-(6-methoxy-1-benzofuran-2-yl)-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]imidazo[1,2-b]pyridazine
SMILESCOc1ccc2cc(-c3cnc4ccc(OCCC5CCCN5C)nn34)oc2c1
InChIInChI=1S/C22H24N4O3/c1-25-10-3-4-16(25)9-11-28-22-8-7-21-23-14-18(26(21)24-22)20-12-15-5-6-17(27-2)13-19(15)29-20/h5-8,12-14,16H,3-4,9-11H2,1-2H3
InChIKeyIEZPCJPQDIMMEN-UHFFFAOYSA-N
MW392.46 g/mol
LogP4.01
Rot. Bonds6

About 3-(6-methoxy-1-benzofuran-2-yl)-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]imidazo[1,2-b]pyridazine

3-(6-methoxy-1-benzofuran-2-yl)-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]imidazo[1,2-b]pyridazine (PubChem CID 121440040) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is 3-(6-methoxy-1-benzofuran-2-yl)-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]imidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name3-(6-methoxy-1-benzofuran-2-yl)-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]imidazo[1,2-b]pyridazine
PubChem CID121440040
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name3-(6-methoxy-1-benzofuran-2-yl)-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]imidazo[1,2-b]pyridazine
SMILESCOc1ccc2cc(-c3cnc4ccc(OCCC5CCCN5C)nn34)oc2c1
InChIInChI=1S/C22H24N4O3/c1-25-10-3-4-16(25)9-11-28-22-8-7-21-23-14-18(26(21)24-22)20-12-15-5-6-17(27-2)13-19(15)29-20/h5-8,12-14,16H,3-4,9-11H2,1-2H3
InChIKeyIEZPCJPQDIMMEN-UHFFFAOYSA-N
XLogP4.01
TPSA65.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[3-(6-methoxy-1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxyethanamine
CID 121440007
1-[(2S)-2-[2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxyethyl]pyrrolidin-1-yl]propan-1-one
CID 90368898
[(2S)-2-[2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxyethyl]pyrrolidin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 122585653
[(2S)-2-[2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxyethyl]pyrrolidin-1-yl]-(1,2-oxazol-4-yl)methanone
CID 90368899
3-(5-chloro-1-benzofuran-2-yl)-6-(2-pyrrolidin-2-ylethoxy)imidazo[1,2-b]pyridazine
CID 78166712
6-[3-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxypropyl]piperidin-2-one
CID 144686366
6-chloro-3-(5-methoxy-1-benzofuran-2-yl)imidazo[1,2-b]pyridazine
CID 71491930
3-(1-benzofuran-2-yl)-6-[[(2S)-pyrrolidin-2-yl]methoxy]imidazo[1,2-b]pyridazine
CID 71744510
(5R)-5-[[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxymethyl]pyrrolidin-2-one
CID 78322620
2-[2-(3-methoxyphenoxy)ethyl]-1-methylpiperidine
CID 70628177
1-[4-methoxy-2-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]ethanone
CID 103801800
6-[2-(1-methylpiperidin-2-yl)ethoxy]chromen-2-one
CID 88650025

Frequently Asked Questions

What is the IUPAC name of 3-(6-methoxy-1-benzofuran-2-yl)-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]imidazo[1,2-b]pyridazine?
The IUPAC name of 3-(6-methoxy-1-benzofuran-2-yl)-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]imidazo[1,2-b]pyridazine (CID 121440040) is 3-(6-methoxy-1-benzofuran-2-yl)-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]imidazo[1,2-b]pyridazine.
What is the SMILES notation for 3-(6-methoxy-1-benzofuran-2-yl)-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]imidazo[1,2-b]pyridazine?
The canonical SMILES for 3-(6-methoxy-1-benzofuran-2-yl)-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]imidazo[1,2-b]pyridazine is COc1ccc2cc(-c3cnc4ccc(OCCC5CCCN5C)nn34)oc2c1.
What is the InChIKey of 3-(6-methoxy-1-benzofuran-2-yl)-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]imidazo[1,2-b]pyridazine?
The InChIKey is IEZPCJPQDIMMEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-25-10-3-4-16(25)9-11-28-22-8-7-21-23-14-18(26(21)24-22)20-12-15-5-6-17(27-2)13-19(15)29-20/h5-8,12-14,16H,3-4,9-11H2,1-2H3.
What are the key properties of 3-(6-methoxy-1-benzofuran-2-yl)-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]imidazo[1,2-b]pyridazine?
3-(6-methoxy-1-benzofuran-2-yl)-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]imidazo[1,2-b]pyridazine has a molecular weight of 392.46 g/mol, XLogP of 4.01, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methoxy-1-benzofuran-2-yl)-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]imidazo[1,2-b]pyridazine is sourced from PubChem (CID 121440040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).