4-[6-(oxan-4-yloxy)imidazo[1,2-b]pyridazin-3-yl]benzonitrile

C18H16N4O2 — CID 66890326

IUPAC4-[6-(oxan-4-yloxy)imidazo[1,2-b]pyridazin-3-yl]benzonitrile
SMILESN#Cc1ccc(-c2cnc3ccc(OC4CCOCC4)nn23)cc1
InChIInChI=1S/C18H16N4O2/c19-11-13-1-3-14(4-2-13)16-12-20-17-5-6-18(21-22(16)17)24-15-7-9-23-10-8-15/h1-6,12,15H,7-10H2
InChIKeyFKUWIAWRWAQBPS-UHFFFAOYSA-N
MW320.35 g/mol
LogP2.83
Rot. Bonds3

About 4-[6-(oxan-4-yloxy)imidazo[1,2-b]pyridazin-3-yl]benzonitrile

4-[6-(oxan-4-yloxy)imidazo[1,2-b]pyridazin-3-yl]benzonitrile (PubChem CID 66890326) has the molecular formula C18H16N4O2 and a molecular weight of 320.35 g/mol. Its IUPAC name is 4-[6-(oxan-4-yloxy)imidazo[1,2-b]pyridazin-3-yl]benzonitrile.

Molecular Properties

Compound Name4-[6-(oxan-4-yloxy)imidazo[1,2-b]pyridazin-3-yl]benzonitrile
PubChem CID66890326
Molecular FormulaC18H16N4O2
Molecular Weight320.35 g/mol
Exact Mass320.13
IUPAC Name4-[6-(oxan-4-yloxy)imidazo[1,2-b]pyridazin-3-yl]benzonitrile
SMILESN#Cc1ccc(-c2cnc3ccc(OC4CCOCC4)nn23)cc1
InChIInChI=1S/C18H16N4O2/c19-11-13-1-3-14(4-2-13)16-12-20-17-5-6-18(21-22(16)17)24-15-7-9-23-10-8-15/h1-6,12,15H,7-10H2
InChIKeyFKUWIAWRWAQBPS-UHFFFAOYSA-N
XLogP2.83
TPSA72.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(1H-indazol-5-yl)-6-(oxan-4-yloxy)imidazo[1,2-b]pyridazine
CID 163429926
4-(6-cyclohexylsulfanylimidazo[1,2-b]pyridazin-3-yl)benzonitrile
CID 66888862
4-[6-(cyclopropylmethylamino)imidazo[1,2-b]pyridazin-3-yl]benzonitrile
CID 44580273
4-[6-(oxan-4-ylamino)imidazo[1,2-b]pyridazin-3-yl]phenol
CID 135923073
6-(oxan-4-ylmethoxy)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine
CID 66598032
4-[6-(thiophen-2-ylmethylamino)imidazo[1,2-b]pyridazin-3-yl]benzonitrile
CID 126469830
4-[6-(benzylamino)imidazo[1,2-b]pyridazin-3-yl]benzonitrile
CID 122179540
4-[6-(2-morpholin-4-ylethoxy)imidazo[1,2-b]pyridazin-3-yl]phenol
CID 176715164
4-[6-[4-(4-ethylpiperidine-1-carbonyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]benzonitrile
CID 148782489
6-(oxan-4-yloxy)imidazo[1,2-b]pyridazin-2-amine
CID 141209381
6-[1-(hydroxymethyl)piperidin-4-yl]oxypyridine-3-carbonitrile
CID 71063615
6-(1,4-dioxaspiro[4.5]decan-8-yloxy)pyridine-3-carbonitrile
CID 119099168

Frequently Asked Questions

What is the IUPAC name of 4-[6-(oxan-4-yloxy)imidazo[1,2-b]pyridazin-3-yl]benzonitrile?
The IUPAC name of 4-[6-(oxan-4-yloxy)imidazo[1,2-b]pyridazin-3-yl]benzonitrile (CID 66890326) is 4-[6-(oxan-4-yloxy)imidazo[1,2-b]pyridazin-3-yl]benzonitrile.
What is the SMILES notation for 4-[6-(oxan-4-yloxy)imidazo[1,2-b]pyridazin-3-yl]benzonitrile?
The canonical SMILES for 4-[6-(oxan-4-yloxy)imidazo[1,2-b]pyridazin-3-yl]benzonitrile is N#Cc1ccc(-c2cnc3ccc(OC4CCOCC4)nn23)cc1.
What is the InChIKey of 4-[6-(oxan-4-yloxy)imidazo[1,2-b]pyridazin-3-yl]benzonitrile?
The InChIKey is FKUWIAWRWAQBPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2/c19-11-13-1-3-14(4-2-13)16-12-20-17-5-6-18(21-22(16)17)24-15-7-9-23-10-8-15/h1-6,12,15H,7-10H2.
What are the key properties of 4-[6-(oxan-4-yloxy)imidazo[1,2-b]pyridazin-3-yl]benzonitrile?
4-[6-(oxan-4-yloxy)imidazo[1,2-b]pyridazin-3-yl]benzonitrile has a molecular weight of 320.35 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(oxan-4-yloxy)imidazo[1,2-b]pyridazin-3-yl]benzonitrile is sourced from PubChem (CID 66890326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).