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

C21H24FN5 — CID 89494263

IUPAC6-ethenyl-3-[3-fluoro-4-(4-propylpiperazin-1-yl)phenyl]imidazo[1,2-b]pyridazine
SMILESC=Cc1ccc2ncc(-c3ccc(N4CCN(CCC)CC4)c(F)c3)n2n1
InChIInChI=1S/C21H24FN5/c1-3-9-25-10-12-26(13-11-25)19-7-5-16(14-18(19)22)20-15-23-21-8-6-17(4-2)24-27(20)21/h4-8,14-15H,2-3,9-13H2,1H3
InChIKeyQXOSOQUQUQFQCV-UHFFFAOYSA-N
MW365.46 g/mol
LogP3.71
Rot. Bonds5

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

6-ethenyl-3-[3-fluoro-4-(4-propylpiperazin-1-yl)phenyl]imidazo[1,2-b]pyridazine (PubChem CID 89494263) has the molecular formula C21H24FN5 and a molecular weight of 365.46 g/mol. Its IUPAC name is 6-ethenyl-3-[3-fluoro-4-(4-propylpiperazin-1-yl)phenyl]imidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name6-ethenyl-3-[3-fluoro-4-(4-propylpiperazin-1-yl)phenyl]imidazo[1,2-b]pyridazine
PubChem CID89494263
Molecular FormulaC21H24FN5
Molecular Weight365.46 g/mol
Exact Mass365.20
IUPAC Name6-ethenyl-3-[3-fluoro-4-(4-propylpiperazin-1-yl)phenyl]imidazo[1,2-b]pyridazine
SMILESC=Cc1ccc2ncc(-c3ccc(N4CCN(CCC)CC4)c(F)c3)n2n1
InChIInChI=1S/C21H24FN5/c1-3-9-25-10-12-26(13-11-25)19-7-5-16(14-18(19)22)20-15-23-21-8-6-17(4-2)24-27(20)21/h4-8,14-15H,2-3,9-13H2,1H3
InChIKeyQXOSOQUQUQFQCV-UHFFFAOYSA-N
XLogP3.71
TPSA36.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-ethenyl-3-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-b]pyridazine
CID 89494136
(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-[3-fluoro-4-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]phenyl]imidazo[1,2-b]pyridazine-6-carbaldehyde
CID 89494382
(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
6-ethenyl-3-[4-(1-ethylpiperidin-4-yl)phenyl]imidazo[1,2-b]pyridazine
CID 89494028
6-chloro-3-[3-fluoro-4-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]phenyl]imidazo[1,2-b]pyridazine
CID 89494185
[3-fluoro-4-(4-propylpiperazin-1-yl)phenyl]methanol
CID 28945751
1-[4-(6-ethenylimidazo[1,2-b]pyridazin-3-yl)phenyl]-4-ethylpiperazine-2,3-dione
CID 89494440
2-chloro-6-ethenyl-3-(3-propylimidazolidin-1-yl)pyridine
CID 174331975
1-(6-ethenyl-2-methyl-3-pyridinyl)-4-ethylpiperazine
CID 174333523
3-(3-fluorophenyl)-6-[3-(4-methylpiperazin-1-yl)propoxy]imidazo[1,2-b]pyridazine
CID 24850546
1-(2,4-difluorophenyl)-4-propylpiperazine;2H-[1,2,4]triazolo[4,3-a]pyridine-3-thione
CID 70394978

Frequently Asked Questions

What is the IUPAC name of 6-ethenyl-3-[3-fluoro-4-(4-propylpiperazin-1-yl)phenyl]imidazo[1,2-b]pyridazine?
The IUPAC name of 6-ethenyl-3-[3-fluoro-4-(4-propylpiperazin-1-yl)phenyl]imidazo[1,2-b]pyridazine (CID 89494263) is 6-ethenyl-3-[3-fluoro-4-(4-propylpiperazin-1-yl)phenyl]imidazo[1,2-b]pyridazine.
What is the SMILES notation for 6-ethenyl-3-[3-fluoro-4-(4-propylpiperazin-1-yl)phenyl]imidazo[1,2-b]pyridazine?
The canonical SMILES for 6-ethenyl-3-[3-fluoro-4-(4-propylpiperazin-1-yl)phenyl]imidazo[1,2-b]pyridazine is C=Cc1ccc2ncc(-c3ccc(N4CCN(CCC)CC4)c(F)c3)n2n1.
What is the InChIKey of 6-ethenyl-3-[3-fluoro-4-(4-propylpiperazin-1-yl)phenyl]imidazo[1,2-b]pyridazine?
The InChIKey is QXOSOQUQUQFQCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN5/c1-3-9-25-10-12-26(13-11-25)19-7-5-16(14-18(19)22)20-15-23-21-8-6-17(4-2)24-27(20)21/h4-8,14-15H,2-3,9-13H2,1H3.
What are the key properties of 6-ethenyl-3-[3-fluoro-4-(4-propylpiperazin-1-yl)phenyl]imidazo[1,2-b]pyridazine?
6-ethenyl-3-[3-fluoro-4-(4-propylpiperazin-1-yl)phenyl]imidazo[1,2-b]pyridazine has a molecular weight of 365.46 g/mol, XLogP of 3.71, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethenyl-3-[3-fluoro-4-(4-propylpiperazin-1-yl)phenyl]imidazo[1,2-b]pyridazine is sourced from PubChem (CID 89494263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).