2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-4-(4-fluorophenyl)butan-1-amine

C24H21FN4O2 — CID 129171707

IUPAC2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-4-(4-fluorophenyl)butan-1-amine
SMILESNCC(CCc1ccc(F)cc1)Oc1ccc2ncc(-c3cc4ccccc4o3)n2n1
InChIInChI=1S/C24H21FN4O2/c25-18-8-5-16(6-9-18)7-10-19(14-26)30-24-12-11-23-27-15-20(29(23)28-24)22-13-17-3-1-2-4-21(17)31-22/h1-6,8-9,11-13,15,19H,7,10,14,26H2
InChIKeySXOVYEBTOZKBRY-UHFFFAOYSA-N
MW416.46 g/mol
LogP4.62
Rot. Bonds7

About 2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-4-(4-fluorophenyl)butan-1-amine

2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-4-(4-fluorophenyl)butan-1-amine (PubChem CID 129171707) has the molecular formula C24H21FN4O2 and a molecular weight of 416.46 g/mol. Its IUPAC name is 2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-4-(4-fluorophenyl)butan-1-amine.

Molecular Properties

Compound Name2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-4-(4-fluorophenyl)butan-1-amine
PubChem CID129171707
Molecular FormulaC24H21FN4O2
Molecular Weight416.46 g/mol
Exact Mass416.16
IUPAC Name2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-4-(4-fluorophenyl)butan-1-amine
SMILESNCC(CCc1ccc(F)cc1)Oc1ccc2ncc(-c3cc4ccccc4o3)n2n1
InChIInChI=1S/C24H21FN4O2/c25-18-8-5-16(6-9-18)7-10-19(14-26)30-24-12-11-23-27-15-20(29(23)28-24)22-13-17-3-1-2-4-21(17)31-22/h1-6,8-9,11-13,15,19H,7,10,14,26H2
InChIKeySXOVYEBTOZKBRY-UHFFFAOYSA-N
XLogP4.62
TPSA78.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.46
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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]oxypropan-1-amine;4-methylpyridine
CID 144548770
(2S)-1-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxybutan-2-amine
CID 129171531
2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-2-(ethylamino)ethanol
CID 71077227
4-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-N,N-diethylpentan-1-amine
CID 24850032
1-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxyhexan-2-amine
CID 71468696
3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-amine
CID 90317489
1-[[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxymethyl]cyclobutan-1-amine
CID 71295127
3-(1-benzofuran-2-yl)-6-[[(2S)-pyrrolidin-2-yl]methoxy]imidazo[1,2-b]pyridazine
CID 71744510
3-(1-benzofuran-2-yl)-6-[(3R)-pyrrolidin-3-yl]oxyimidazo[1,2-b]pyridazine
CID 71744577
N-[2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxyethyl]propan-1-amine
CID 71077181
(5R)-5-[[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxymethyl]pyrrolidin-2-one
CID 78322620

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-4-(4-fluorophenyl)butan-1-amine?
The IUPAC name of 2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-4-(4-fluorophenyl)butan-1-amine (CID 129171707) is 2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-4-(4-fluorophenyl)butan-1-amine.
What is the SMILES notation for 2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-4-(4-fluorophenyl)butan-1-amine?
The canonical SMILES for 2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-4-(4-fluorophenyl)butan-1-amine is NCC(CCc1ccc(F)cc1)Oc1ccc2ncc(-c3cc4ccccc4o3)n2n1.
What is the InChIKey of 2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-4-(4-fluorophenyl)butan-1-amine?
The InChIKey is SXOVYEBTOZKBRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN4O2/c25-18-8-5-16(6-9-18)7-10-19(14-26)30-24-12-11-23-27-15-20(29(23)28-24)22-13-17-3-1-2-4-21(17)31-22/h1-6,8-9,11-13,15,19H,7,10,14,26H2.
What are the key properties of 2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-4-(4-fluorophenyl)butan-1-amine?
2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-4-(4-fluorophenyl)butan-1-amine has a molecular weight of 416.46 g/mol, XLogP of 4.62, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-4-(4-fluorophenyl)butan-1-amine is sourced from PubChem (CID 129171707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).