6-ethenyl-3-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-b]pyridazine

C19H21N5 — CID 89494136

IUPAC6-ethenyl-3-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-b]pyridazine
SMILESC=Cc1ccc2ncc(-c3ccc(N4CCN(C)CC4)cc3)n2n1
InChIInChI=1S/C19H21N5/c1-3-16-6-9-19-20-14-18(24(19)21-16)15-4-7-17(8-5-15)23-12-10-22(2)11-13-23/h3-9,14H,1,10-13H2,2H3
InChIKeyPIGRVOXGBYBBFY-UHFFFAOYSA-N
MW319.41 g/mol
LogP2.79
Rot. Bonds3

About 6-ethenyl-3-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-b]pyridazine

6-ethenyl-3-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-b]pyridazine (PubChem CID 89494136) has the molecular formula C19H21N5 and a molecular weight of 319.41 g/mol. Its IUPAC name is 6-ethenyl-3-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name6-ethenyl-3-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-b]pyridazine
PubChem CID89494136
Molecular FormulaC19H21N5
Molecular Weight319.41 g/mol
Exact Mass319.18
IUPAC Name6-ethenyl-3-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-b]pyridazine
SMILESC=Cc1ccc2ncc(-c3ccc(N4CCN(C)CC4)cc3)n2n1
InChIInChI=1S/C19H21N5/c1-3-16-6-9-19-20-14-18(24(19)21-16)15-4-7-17(8-5-15)23-12-10-22(2)11-13-23/h3-9,14H,1,10-13H2,2H3
InChIKeyPIGRVOXGBYBBFY-UHFFFAOYSA-N
XLogP2.79
TPSA36.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(6-ethenylimidazo[1,2-b]pyridazin-3-yl)phenyl]-4-ethylpiperazine-2,3-dione
CID 89494440
3-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]imidazo[1,2-b]pyridazine-6-carbaldehyde
CID 89494216
6-ethenyl-3-[4-(1-ethylpiperidin-4-yl)phenyl]imidazo[1,2-b]pyridazine
CID 89494028
(5Z)-5-[[3-[4-(4-propylpiperazin-1-yl)phenyl]imidazo[1,2-b]pyridazin-6-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 89494021
7-[4-(4-methylpiperazin-1-yl)phenyl]-3-phenylimidazo[1,2-a]pyridine
CID 56973477
3-(4-fluorophenyl)-7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridine
CID 56973461
(5Z)-5-[[3-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-b]pyridazin-6-yl]methylidene]-2-pyrrolidin-1-yl-1,3-thiazol-4-one
CID 86279245
3-[5-[(4-methylpiperazin-1-yl)methyl]thiophen-2-yl]imidazo[1,2-b]pyridazine-6-carbaldehyde
CID 89494438
4-[4-(3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]morpholine
CID 90670266
2-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine
CID 70794404
3-(1,3-dimethylindazol-5-yl)-6-(4-methyl-1,4-diazepan-1-yl)imidazo[1,2-b]pyridazine
CID 59519539
4-[7-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-3-yl]aniline
CID 162371943

Frequently Asked Questions

What is the IUPAC name of 6-ethenyl-3-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-b]pyridazine?
The IUPAC name of 6-ethenyl-3-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-b]pyridazine (CID 89494136) is 6-ethenyl-3-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-b]pyridazine.
What is the SMILES notation for 6-ethenyl-3-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-b]pyridazine?
The canonical SMILES for 6-ethenyl-3-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-b]pyridazine is C=Cc1ccc2ncc(-c3ccc(N4CCN(C)CC4)cc3)n2n1.
What is the InChIKey of 6-ethenyl-3-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-b]pyridazine?
The InChIKey is PIGRVOXGBYBBFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5/c1-3-16-6-9-19-20-14-18(24(19)21-16)15-4-7-17(8-5-15)23-12-10-22(2)11-13-23/h3-9,14H,1,10-13H2,2H3.
What are the key properties of 6-ethenyl-3-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-b]pyridazine?
6-ethenyl-3-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-b]pyridazine has a molecular weight of 319.41 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethenyl-3-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-b]pyridazine is sourced from PubChem (CID 89494136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).