1-[6-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-3-yl]-3-(dimethylamino)prop-2-en-1-one

C20H22N4O3 — CID 68671543

IUPAC1-[6-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-3-yl]-3-(dimethylamino)prop-2-en-1-one
SMILESCOc1ccc(-c2ccc3nc(C)c(C(=O)C=CN(C)C)n3n2)cc1OC
InChIInChI=1S/C20H22N4O3/c1-13-20(16(25)10-11-23(2)3)24-19(21-13)9-7-15(22-24)14-6-8-17(26-4)18(12-14)27-5/h6-12H,1-5H3
InChIKeyAFYMTZQPGARZOY-UHFFFAOYSA-N
MW366.42 g/mol
LogP2.98
Rot. Bonds6

About 1-[6-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-3-yl]-3-(dimethylamino)prop-2-en-1-one

1-[6-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-3-yl]-3-(dimethylamino)prop-2-en-1-one (PubChem CID 68671543) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is 1-[6-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-3-yl]-3-(dimethylamino)prop-2-en-1-one.

Molecular Properties

Compound Name1-[6-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-3-yl]-3-(dimethylamino)prop-2-en-1-one
PubChem CID68671543
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC Name1-[6-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-3-yl]-3-(dimethylamino)prop-2-en-1-one
SMILESCOc1ccc(-c2ccc3nc(C)c(C(=O)C=CN(C)C)n3n2)cc1OC
InChIInChI=1S/C20H22N4O3/c1-13-20(16(25)10-11-23(2)3)24-19(21-13)9-7-15(22-24)14-6-8-17(26-4)18(12-14)27-5/h6-12H,1-5H3
InChIKeyAFYMTZQPGARZOY-UHFFFAOYSA-N
XLogP2.98
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

6-(3,4-dimethoxyphenyl)-2-methyl-3-phenylimidazo[1,2-b]pyridazine
CID 141201904
6-(3,4-dimethoxyphenyl)-2-methyl-3-(3-methylsulfonylphenyl)imidazo[1,2-b]pyridazine
CID 24947899
3-[6-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-3-yl]-N,N-dimethylbenzenesulfonamide
CID 24947525
3-[4-(benzimidazol-1-yl)phenyl]-6-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazine
CID 24946965
(E)-1-(3,4-dimethoxyphenyl)-3-(dimethylamino)prop-2-en-1-one
CID 1481362
N-[2-(3,4-dimethoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N',N'-dimethylpropane-1,3-diamine;hydrochloride
CID 71779752
5-[6-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-3-yl]pyridine-3-carbonitrile
CID 25121787
4-[6-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]benzamide
CID 25121551
6-(3,4-dimethoxyphenyl)-2-methylpyridazin-3-one
CID 7659900
2-[4-[6-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-3-yl]-2-fluorophenyl]acetonitrile
CID 24946100
N-butan-2-yl-2-(3,4-dimethoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine
CID 20895223
4-[6-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-methoxyphenol
CID 137120111

Frequently Asked Questions

What is the IUPAC name of 1-[6-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-3-yl]-3-(dimethylamino)prop-2-en-1-one?
The IUPAC name of 1-[6-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-3-yl]-3-(dimethylamino)prop-2-en-1-one (CID 68671543) is 1-[6-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-3-yl]-3-(dimethylamino)prop-2-en-1-one.
What is the SMILES notation for 1-[6-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-3-yl]-3-(dimethylamino)prop-2-en-1-one?
The canonical SMILES for 1-[6-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-3-yl]-3-(dimethylamino)prop-2-en-1-one is COc1ccc(-c2ccc3nc(C)c(C(=O)C=CN(C)C)n3n2)cc1OC.
What is the InChIKey of 1-[6-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-3-yl]-3-(dimethylamino)prop-2-en-1-one?
The InChIKey is AFYMTZQPGARZOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-13-20(16(25)10-11-23(2)3)24-19(21-13)9-7-15(22-24)14-6-8-17(26-4)18(12-14)27-5/h6-12H,1-5H3.
What are the key properties of 1-[6-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-3-yl]-3-(dimethylamino)prop-2-en-1-one?
1-[6-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-3-yl]-3-(dimethylamino)prop-2-en-1-one has a molecular weight of 366.42 g/mol, XLogP of 2.98, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-3-yl]-3-(dimethylamino)prop-2-en-1-one is sourced from PubChem (CID 68671543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).