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

C18H18N4O2 — CID 129171531

IUPAC(2S)-1-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxybutan-2-amine
SMILESCC[C@H](N)COc1ccc2ncc(-c3cc4ccccc4o3)n2n1
InChIInChI=1S/C18H18N4O2/c1-2-13(19)11-23-18-8-7-17-20-10-14(22(17)21-18)16-9-12-5-3-4-6-15(12)24-16/h3-10,13H,2,11,19H2,1H3/t13-/m0/s1
InChIKeyKVMLMEYIMJJVBN-ZDUSSCGKSA-N
MW322.37 g/mol
LogP3.26
Rot. Bonds5

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

(2S)-1-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxybutan-2-amine (PubChem CID 129171531) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is (2S)-1-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxybutan-2-amine.

Molecular Properties

Compound Name(2S)-1-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxybutan-2-amine
PubChem CID129171531
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name(2S)-1-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxybutan-2-amine
SMILESCC[C@H](N)COc1ccc2ncc(-c3cc4ccccc4o3)n2n1
InChIInChI=1S/C18H18N4O2/c1-2-13(19)11-23-18-8-7-17-20-10-14(22(17)21-18)16-9-12-5-3-4-6-15(12)24-16/h3-10,13H,2,11,19H2,1H3/t13-/m0/s1
InChIKeyKVMLMEYIMJJVBN-ZDUSSCGKSA-N
XLogP3.26
TPSA78.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxyhexan-2-amine
CID 71468696
1-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-3-(1H-indol-3-yl)propan-2-amine
CID 71014927
N-[2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxyethyl]propan-1-amine
CID 71077181
2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-2-(ethylamino)ethanol
CID 71077227
1-[[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxymethyl]cyclobutan-1-amine
CID 71295127
(1S)-2-(3-furo[3,2-c]pyridin-2-ylimidazo[1,2-b]pyridazin-6-yl)oxy-1-phenylethanamine
CID 71621729
3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-amine
CID 90317489
4-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-N,N-diethylpentan-1-amine
CID 24850032
3-(1-benzofuran-2-yl)-6-[[(2S)-pyrrolidin-2-yl]methoxy]imidazo[1,2-b]pyridazine
CID 71744510
2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxypropan-1-amine;4-methylpyridine
CID 144548770
(5R)-5-[[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxymethyl]pyrrolidin-2-one
CID 78322620
benzene;2-[3-(5-chloro-1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxyethanamine
CID 144548771

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxybutan-2-amine?
The IUPAC name of (2S)-1-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxybutan-2-amine (CID 129171531) is (2S)-1-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxybutan-2-amine.
What is the SMILES notation for (2S)-1-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxybutan-2-amine?
The canonical SMILES for (2S)-1-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxybutan-2-amine is CC[C@H](N)COc1ccc2ncc(-c3cc4ccccc4o3)n2n1.
What is the InChIKey of (2S)-1-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxybutan-2-amine?
The InChIKey is KVMLMEYIMJJVBN-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-2-13(19)11-23-18-8-7-17-20-10-14(22(17)21-18)16-9-12-5-3-4-6-15(12)24-16/h3-10,13H,2,11,19H2,1H3/t13-/m0/s1.
What are the key properties of (2S)-1-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxybutan-2-amine?
(2S)-1-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxybutan-2-amine has a molecular weight of 322.37 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxybutan-2-amine is sourced from PubChem (CID 129171531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).