N-[(2,4-dimethylphenyl)methyl]-3-(3-methoxy-4-methylphenyl)imidazo[1,2-b]pyridazin-6-amine

C23H24N4O — CID 140905268

IUPACN-[(2,4-dimethylphenyl)methyl]-3-(3-methoxy-4-methylphenyl)imidazo[1,2-b]pyridazin-6-amine
SMILESCOc1cc(-c2cnc3ccc(NCc4ccc(C)cc4C)nn23)ccc1C
InChIInChI=1S/C23H24N4O/c1-15-5-7-19(17(3)11-15)13-24-22-9-10-23-25-14-20(27(23)26-22)18-8-6-16(2)21(12-18)28-4/h5-12,14H,13H2,1-4H3,(H,24,26)
InChIKeyADFYQLDEEWVQLB-UHFFFAOYSA-N
MW372.47 g/mol
LogP4.94
Rot. Bonds5

About N-[(2,4-dimethylphenyl)methyl]-3-(3-methoxy-4-methylphenyl)imidazo[1,2-b]pyridazin-6-amine

N-[(2,4-dimethylphenyl)methyl]-3-(3-methoxy-4-methylphenyl)imidazo[1,2-b]pyridazin-6-amine (PubChem CID 140905268) has the molecular formula C23H24N4O and a molecular weight of 372.47 g/mol. Its IUPAC name is N-[(2,4-dimethylphenyl)methyl]-3-(3-methoxy-4-methylphenyl)imidazo[1,2-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-[(2,4-dimethylphenyl)methyl]-3-(3-methoxy-4-methylphenyl)imidazo[1,2-b]pyridazin-6-amine
PubChem CID140905268
Molecular FormulaC23H24N4O
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC NameN-[(2,4-dimethylphenyl)methyl]-3-(3-methoxy-4-methylphenyl)imidazo[1,2-b]pyridazin-6-amine
SMILESCOc1cc(-c2cnc3ccc(NCc4ccc(C)cc4C)nn23)ccc1C
InChIInChI=1S/C23H24N4O/c1-15-5-7-19(17(3)11-15)13-24-22-9-10-23-25-14-20(27(23)26-22)18-8-6-16(2)21(12-18)28-4/h5-12,14H,13H2,1-4H3,(H,24,26)
InChIKeyADFYQLDEEWVQLB-UHFFFAOYSA-N
XLogP4.94
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[6-[(2,4-dimethylphenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]-2-methoxyphenol
CID 135900202
N-[(2,4-dimethylphenyl)methyl]-3-pyrimidin-5-ylimidazo[1,2-b]pyridazin-6-amine
CID 126475848
N-[3-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]-N',N'-dimethylethane-1,2-diamine
CID 24997044
4-[6-[(3,4-dichlorophenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]-2-methoxyphenol
CID 135900201
N-[(2-methoxy-4-methylphenyl)methyl]-3-nitroimidazo[1,2-b]pyridazin-6-amine
CID 133419819
4-[[[3-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]methyl]benzenesulfonamide
CID 25103689
3-(1,3-benzodioxol-5-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]imidazo[1,2-b]pyridazin-6-amine
CID 126473754
3-(4-methylphenyl)-N-(pyridin-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine
CID 143711795
3-thiophen-3-yl-N-[(3,4,5-trimethoxyphenyl)methyl]imidazo[1,2-b]pyridazin-6-amine
CID 126474359
[3-[6-[(3,4,5-trimethoxyphenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]phenyl]methanol
CID 126474180
(2S)-2-[[3-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]-3-methylbutan-1-ol
CID 58857690
3-(1-methylpyrazol-4-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]imidazo[1,2-b]pyridazin-6-amine
CID 126474614

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethylphenyl)methyl]-3-(3-methoxy-4-methylphenyl)imidazo[1,2-b]pyridazin-6-amine?
The IUPAC name of N-[(2,4-dimethylphenyl)methyl]-3-(3-methoxy-4-methylphenyl)imidazo[1,2-b]pyridazin-6-amine (CID 140905268) is N-[(2,4-dimethylphenyl)methyl]-3-(3-methoxy-4-methylphenyl)imidazo[1,2-b]pyridazin-6-amine.
What is the SMILES notation for N-[(2,4-dimethylphenyl)methyl]-3-(3-methoxy-4-methylphenyl)imidazo[1,2-b]pyridazin-6-amine?
The canonical SMILES for N-[(2,4-dimethylphenyl)methyl]-3-(3-methoxy-4-methylphenyl)imidazo[1,2-b]pyridazin-6-amine is COc1cc(-c2cnc3ccc(NCc4ccc(C)cc4C)nn23)ccc1C.
What is the InChIKey of N-[(2,4-dimethylphenyl)methyl]-3-(3-methoxy-4-methylphenyl)imidazo[1,2-b]pyridazin-6-amine?
The InChIKey is ADFYQLDEEWVQLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O/c1-15-5-7-19(17(3)11-15)13-24-22-9-10-23-25-14-20(27(23)26-22)18-8-6-16(2)21(12-18)28-4/h5-12,14H,13H2,1-4H3,(H,24,26).
What are the key properties of N-[(2,4-dimethylphenyl)methyl]-3-(3-methoxy-4-methylphenyl)imidazo[1,2-b]pyridazin-6-amine?
N-[(2,4-dimethylphenyl)methyl]-3-(3-methoxy-4-methylphenyl)imidazo[1,2-b]pyridazin-6-amine has a molecular weight of 372.47 g/mol, XLogP of 4.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethylphenyl)methyl]-3-(3-methoxy-4-methylphenyl)imidazo[1,2-b]pyridazin-6-amine is sourced from PubChem (CID 140905268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).