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

C18H20N4O — CID 25104535

IUPAC3-(4-methylphenyl)-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine
SMILESCc1ccc(-c2cnc3ccc(NC4CCOCC4)nn23)cc1
InChIInChI=1S/C18H20N4O/c1-13-2-4-14(5-3-13)16-12-19-18-7-6-17(21-22(16)18)20-15-8-10-23-11-9-15/h2-7,12,15H,8-11H2,1H3,(H,20,21)
InChIKeyABXCRGPSYQVOOK-UHFFFAOYSA-N
MW308.39 g/mol
LogP3.30
Rot. Bonds3

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

3-(4-methylphenyl)-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine (PubChem CID 25104535) has the molecular formula C18H20N4O and a molecular weight of 308.39 g/mol. Its IUPAC name is 3-(4-methylphenyl)-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine.

Molecular Properties

Compound Name3-(4-methylphenyl)-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine
PubChem CID25104535
Molecular FormulaC18H20N4O
Molecular Weight308.39 g/mol
Exact Mass308.16
IUPAC Name3-(4-methylphenyl)-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine
SMILESCc1ccc(-c2cnc3ccc(NC4CCOCC4)nn23)cc1
InChIInChI=1S/C18H20N4O/c1-13-2-4-14(5-3-13)16-12-19-18-7-6-17(21-22(16)18)20-15-8-10-23-11-9-15/h2-7,12,15H,8-11H2,1H3,(H,20,21)
InChIKeyABXCRGPSYQVOOK-UHFFFAOYSA-N
XLogP3.30
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-((1r,4r)-4-((3-(3-(Trifluoromethyl)phenyl)imidazo[1,2-b]pyridazin-6-yl)amino)cyclohexyl)propan-2-ol
CID 66598080
Jnj-42396302
CID 51352628
(5-Phenyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl)methanol
CID 21066379
4-(6-{[(1s)-1-(Hydroxymethyl)-2-Methylpropyl]amino}imidazo[1,2-B]pyridazin-3-Yl)benzonitrile
CID 6419800
3-(3-chlorophenyl)-N-(tetrahydro-2H-pyran-4-yl)imidazo[1,2-b]pyridazin-6-amine
CID 6419807
K00486
CID 6419820
(2R)-2-{[4-(benzylamino)-7-(propan-2-yl)imidazo[2,1-f][1,2,4]triazin-2-yl]amino}butan-1-ol
CID 25190763
3-(6-{[(1s)-1-(4-Fluorophenyl)ethyl]amino}pyrimidin-4-Yl)pyrazolo[1,5-A]pyrimidin-2-Amine
CID 44159834
N-{6-[(2s)-2-Methylpyrrolidin-1-Yl]pyridin-2-Yl}-6-Phenylimidazo[1,2-B]pyridazin-8-Amine
CID 71525988
US9266891, III-19
CID 90161075
(2S)-2-((3-(3-aminophenyl)imidazo(1,2-b)pyridazin-6-yl)amino)-3-methylbutan-1-ol
CID 46937115
{4-[7-Dimethylaminomethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl}-(3-methoxypropyl)amine
CID 24746385

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine?
The IUPAC name of 3-(4-methylphenyl)-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine (CID 25104535) is 3-(4-methylphenyl)-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine.
What is the SMILES notation for 3-(4-methylphenyl)-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine?
The canonical SMILES for 3-(4-methylphenyl)-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine is Cc1ccc(-c2cnc3ccc(NC4CCOCC4)nn23)cc1.
What is the InChIKey of 3-(4-methylphenyl)-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine?
The InChIKey is ABXCRGPSYQVOOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c1-13-2-4-14(5-3-13)16-12-19-18-7-6-17(21-22(16)18)20-15-8-10-23-11-9-15/h2-7,12,15H,8-11H2,1H3,(H,20,21).
What are the key properties of 3-(4-methylphenyl)-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine?
3-(4-methylphenyl)-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine has a molecular weight of 308.39 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine is sourced from PubChem (CID 25104535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).