1-[[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxymethyl]cyclobutan-1-amine

C19H18N4O2 — CID 71295127

IUPAC1-[[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxymethyl]cyclobutan-1-amine
SMILESNC1(COc2ccc3ncc(-c4cc5ccccc5o4)n3n2)CCC1
InChIInChI=1S/C19H18N4O2/c20-19(8-3-9-19)12-24-18-7-6-17-21-11-14(23(17)22-18)16-10-13-4-1-2-5-15(13)25-16/h1-2,4-7,10-11H,3,8-9,12,20H2
InChIKeyIFEKINMXPHDXRH-UHFFFAOYSA-N
MW334.38 g/mol
LogP3.40
Rot. Bonds4

About 1-[[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxymethyl]cyclobutan-1-amine

1-[[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxymethyl]cyclobutan-1-amine (PubChem CID 71295127) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is 1-[[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxymethyl]cyclobutan-1-amine.

Molecular Properties

Compound Name1-[[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxymethyl]cyclobutan-1-amine
PubChem CID71295127
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC Name1-[[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxymethyl]cyclobutan-1-amine
SMILESNC1(COc2ccc3ncc(-c4cc5ccccc5o4)n3n2)CCC1
InChIInChI=1S/C19H18N4O2/c20-19(8-3-9-19)12-24-18-7-6-17-21-11-14(23(17)22-18)16-10-13-4-1-2-5-15(13)25-16/h1-2,4-7,10-11H,3,8-9,12,20H2
InChIKeyIFEKINMXPHDXRH-UHFFFAOYSA-N
XLogP3.40
TPSA78.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxymethyl]cyclobutan-1-amine with MolForge

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Related Compounds

3-(1-benzofuran-2-yl)-6-[[(2S)-pyrrolidin-2-yl]methoxy]imidazo[1,2-b]pyridazine
CID 71744510
(2S)-1-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxybutan-2-amine
CID 129171531
N-[2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxyethyl]propan-1-amine
CID 71077181
3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-amine
CID 90317489
2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxycyclohexan-1-amine
CID 78091697
1-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxyhexan-2-amine
CID 71468696
(5R)-5-[[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxymethyl]pyrrolidin-2-one
CID 78322620
3-(1-benzofuran-2-yl)-6-[(3R)-pyrrolidin-3-yl]oxyimidazo[1,2-b]pyridazine
CID 71744577
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
6-[3-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxypropyl]piperidin-2-one
CID 144686366
2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-2-(oxolan-3-yl)ethanamine
CID 71295129
2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-2-(ethylamino)ethanol
CID 71077227

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxymethyl]cyclobutan-1-amine?
The IUPAC name of 1-[[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxymethyl]cyclobutan-1-amine (CID 71295127) is 1-[[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxymethyl]cyclobutan-1-amine.
What is the SMILES notation for 1-[[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxymethyl]cyclobutan-1-amine?
The canonical SMILES for 1-[[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxymethyl]cyclobutan-1-amine is NC1(COc2ccc3ncc(-c4cc5ccccc5o4)n3n2)CCC1.
What is the InChIKey of 1-[[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxymethyl]cyclobutan-1-amine?
The InChIKey is IFEKINMXPHDXRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2/c20-19(8-3-9-19)12-24-18-7-6-17-21-11-14(23(17)22-18)16-10-13-4-1-2-5-15(13)25-16/h1-2,4-7,10-11H,3,8-9,12,20H2.
What are the key properties of 1-[[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxymethyl]cyclobutan-1-amine?
1-[[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxymethyl]cyclobutan-1-amine has a molecular weight of 334.38 g/mol, XLogP of 3.40, 4 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]oxymethyl]cyclobutan-1-amine is sourced from PubChem (CID 71295127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).