N-[2-[[3-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-8-yl]amino]ethyl]acetamide

C19H23N5O3 — CID 118737309

IUPACN-[2-[[3-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-8-yl]amino]ethyl]acetamide
SMILESCOc1ccc(-c2c(C)nc3c(NCCNC(C)=O)ccnn23)cc1OC
InChIInChI=1S/C19H23N5O3/c1-12-18(14-5-6-16(26-3)17(11-14)27-4)24-19(23-12)15(7-8-22-24)21-10-9-20-13(2)25/h5-8,11,21H,9-10H2,1-4H3,(H,20,25)
InChIKeyQEQHXLUUDIQJPT-UHFFFAOYSA-N
MW369.43 g/mol
LogP2.27
Rot. Bonds7

About N-[2-[[3-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-8-yl]amino]ethyl]acetamide

N-[2-[[3-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-8-yl]amino]ethyl]acetamide (PubChem CID 118737309) has the molecular formula C19H23N5O3 and a molecular weight of 369.43 g/mol. Its IUPAC name is N-[2-[[3-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-8-yl]amino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[[3-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-8-yl]amino]ethyl]acetamide
PubChem CID118737309
Molecular FormulaC19H23N5O3
Molecular Weight369.43 g/mol
Exact Mass369.18
IUPAC NameN-[2-[[3-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-8-yl]amino]ethyl]acetamide
SMILESCOc1ccc(-c2c(C)nc3c(NCCNC(C)=O)ccnn23)cc1OC
InChIInChI=1S/C19H23N5O3/c1-12-18(14-5-6-16(26-3)17(11-14)27-4)24-19(23-12)15(7-8-22-24)21-10-9-20-13(2)25/h5-8,11,21H,9-10H2,1-4H3,(H,20,25)
InChIKeyQEQHXLUUDIQJPT-UHFFFAOYSA-N
XLogP2.27
TPSA89.78 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(1-methylpiperidin-4-yl)methyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine
CID 24795070
Unii-XX8E5WP7FS
CID 118009787
1-cyclobutyl-3-(3,4-dimethoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 24905153
6-(3,4-dimethoxyphenyl)-7-methyl-5H-pyrrolo[2,3-b]pyrazine
CID 6538783
Ret-IN-3
CID 146018674
2-{4-[(6,7-Dimethoxyquinazolin-4-yl)amino]-1h-pyrazol-1-yl}-n-(3-fluorophenyl)acetamide
CID 57391179
7-Amino-3-(3,4-dimethoxyphenyl)-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile
CID 2988155
6-(3,4-Dimethoxyphenyl)-2,3-dimethylimidazo[1,2-b][1,2,4]triazine
CID 715685
N-cyclopentyl-3-(3,4-dimethoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine
CID 4973866
7-(difluoromethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 4197086
1-isopropyl-3-(3,4-dimethoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 24905343
6-Chloro-3-(3,4-Dimethoxyphenyl)-2-Methylimidazo[1,2-B]pyridazin-8-Amine
CID 91757958

Frequently Asked Questions

What is the IUPAC name of N-[2-[[3-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-8-yl]amino]ethyl]acetamide?
The IUPAC name of N-[2-[[3-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-8-yl]amino]ethyl]acetamide (CID 118737309) is N-[2-[[3-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-8-yl]amino]ethyl]acetamide.
What is the SMILES notation for N-[2-[[3-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-8-yl]amino]ethyl]acetamide?
The canonical SMILES for N-[2-[[3-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-8-yl]amino]ethyl]acetamide is COc1ccc(-c2c(C)nc3c(NCCNC(C)=O)ccnn23)cc1OC.
What is the InChIKey of N-[2-[[3-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-8-yl]amino]ethyl]acetamide?
The InChIKey is QEQHXLUUDIQJPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O3/c1-12-18(14-5-6-16(26-3)17(11-14)27-4)24-19(23-12)15(7-8-22-24)21-10-9-20-13(2)25/h5-8,11,21H,9-10H2,1-4H3,(H,20,25).
What are the key properties of N-[2-[[3-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-8-yl]amino]ethyl]acetamide?
N-[2-[[3-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-8-yl]amino]ethyl]acetamide has a molecular weight of 369.43 g/mol, XLogP of 2.27, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[3-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-8-yl]amino]ethyl]acetamide is sourced from PubChem (CID 118737309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).