N-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]-2-(oxan-4-yl)acetamide

C21H20N4O3 — CID 130368837

IUPACN-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]-2-(oxan-4-yl)acetamide
SMILESO=C(CC1CCOCC1)Nc1ccc2ncc(-c3cc4ccccc4o3)n2n1
InChIInChI=1S/C21H20N4O3/c26-21(11-14-7-9-27-10-8-14)23-19-5-6-20-22-13-16(25(20)24-19)18-12-15-3-1-2-4-17(15)28-18/h1-6,12-14H,7-11H2,(H,23,24,26)
InChIKeyKMOHACUETLDOJF-UHFFFAOYSA-N
MW376.42 g/mol
LogP3.90
Rot. Bonds4

About N-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]-2-(oxan-4-yl)acetamide

N-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]-2-(oxan-4-yl)acetamide (PubChem CID 130368837) has the molecular formula C21H20N4O3 and a molecular weight of 376.42 g/mol. Its IUPAC name is N-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]-2-(oxan-4-yl)acetamide.

Molecular Properties

Compound NameN-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]-2-(oxan-4-yl)acetamide
PubChem CID130368837
Molecular FormulaC21H20N4O3
Molecular Weight376.42 g/mol
Exact Mass376.15
IUPAC NameN-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]-2-(oxan-4-yl)acetamide
SMILESO=C(CC1CCOCC1)Nc1ccc2ncc(-c3cc4ccccc4o3)n2n1
InChIInChI=1S/C21H20N4O3/c26-21(11-14-7-9-27-10-8-14)23-19-5-6-20-22-13-16(25(20)24-19)18-12-15-3-1-2-4-17(15)28-18/h1-6,12-14H,7-11H2,(H,23,24,26)
InChIKeyKMOHACUETLDOJF-UHFFFAOYSA-N
XLogP3.90
TPSA81.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(1S)-2-[[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]-1-phenylethanol
CID 71014853
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]oxy-2-(oxolan-3-yl)ethanamine
CID 71295129
3-[(1R)-2-[[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]-1-hydroxyethyl]phenol
CID 126713767
3-(1-benzofuran-2-yl)-6-[[(2S)-pyrrolidin-2-yl]methoxy]imidazo[1,2-b]pyridazine
CID 71744510
1-[[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxymethyl]cyclobutan-1-amine
CID 71295127
(5R)-5-[[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxymethyl]pyrrolidin-2-one
CID 78322620
2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxycyclohexan-1-amine
CID 78091697
N-[3-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxycyclobutyl]cyclopropanecarboxamide
CID 90358581
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
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 N-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]-2-(oxan-4-yl)acetamide?
The IUPAC name of N-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]-2-(oxan-4-yl)acetamide (CID 130368837) is N-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]-2-(oxan-4-yl)acetamide.
What is the SMILES notation for N-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]-2-(oxan-4-yl)acetamide?
The canonical SMILES for N-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]-2-(oxan-4-yl)acetamide is O=C(CC1CCOCC1)Nc1ccc2ncc(-c3cc4ccccc4o3)n2n1.
What is the InChIKey of N-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]-2-(oxan-4-yl)acetamide?
The InChIKey is KMOHACUETLDOJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O3/c26-21(11-14-7-9-27-10-8-14)23-19-5-6-20-22-13-16(25(20)24-19)18-12-15-3-1-2-4-17(15)28-18/h1-6,12-14H,7-11H2,(H,23,24,26).
What are the key properties of N-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]-2-(oxan-4-yl)acetamide?
N-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]-2-(oxan-4-yl)acetamide has a molecular weight of 376.42 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]-2-(oxan-4-yl)acetamide is sourced from PubChem (CID 130368837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).