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

C21H24N4 — CID 89494028

IUPAC6-ethenyl-3-[4-(1-ethylpiperidin-4-yl)phenyl]imidazo[1,2-b]pyridazine
SMILESC=Cc1ccc2ncc(-c3ccc(C4CCN(CC)CC4)cc3)n2n1
InChIInChI=1S/C21H24N4/c1-3-19-9-10-21-22-15-20(25(21)23-19)18-7-5-16(6-8-18)17-11-13-24(4-2)14-12-17/h3,5-10,15,17H,1,4,11-14H2,2H3
InChIKeyFHWGKYGONUXYNU-UHFFFAOYSA-N
MW332.45 g/mol
LogP4.24
Rot. Bonds4

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

6-ethenyl-3-[4-(1-ethylpiperidin-4-yl)phenyl]imidazo[1,2-b]pyridazine (PubChem CID 89494028) has the molecular formula C21H24N4 and a molecular weight of 332.45 g/mol. Its IUPAC name is 6-ethenyl-3-[4-(1-ethylpiperidin-4-yl)phenyl]imidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name6-ethenyl-3-[4-(1-ethylpiperidin-4-yl)phenyl]imidazo[1,2-b]pyridazine
PubChem CID89494028
Molecular FormulaC21H24N4
Molecular Weight332.45 g/mol
Exact Mass332.20
IUPAC Name6-ethenyl-3-[4-(1-ethylpiperidin-4-yl)phenyl]imidazo[1,2-b]pyridazine
SMILESC=Cc1ccc2ncc(-c3ccc(C4CCN(CC)CC4)cc3)n2n1
InChIInChI=1S/C21H24N4/c1-3-19-9-10-21-22-15-20(25(21)23-19)18-7-5-16(6-8-18)17-11-13-24(4-2)14-12-17/h3,5-10,15,17H,1,4,11-14H2,2H3
InChIKeyFHWGKYGONUXYNU-UHFFFAOYSA-N
XLogP4.24
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(1-ethylpiperidin-4-yl)phenyl]imidazo[1,2-b]pyridazine-6-carbaldehyde
CID 89494330
6-chloro-3-[4-(1-ethylpiperidin-4-yl)phenyl]imidazo[1,2-b]pyridazine
CID 89494434
6-ethenyl-3-[3-fluoro-4-(4-propylpiperazin-1-yl)phenyl]imidazo[1,2-b]pyridazine
CID 89494263
(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
ethane;1-ethyl-4-(4-propan-2-ylphenyl)piperidine
CID 176679187
ethane;1-[5-(1-ethylpiperidin-4-yl)-2-pyridinyl]-2-methylpropan-1-one
CID 167448079
N-[(1-ethylpiperidin-4-yl)methyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine
CID 25025645
10-[4-(1-ethylpiperidin-4-yl)phenyl]-2,4,5,11,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),3,5,7,9,11-hexaen-12-amine
CID 150226088
3-[5-[(4-methylpiperazin-1-yl)methyl]thiophen-2-yl]imidazo[1,2-b]pyridazine-6-carbaldehyde
CID 89494438
4-[6-(propylamino)imidazo[1,2-b]pyridazin-3-yl]phenol
CID 135923088
1-ethyl-4-(2-methyl-1H-imidazol-5-yl)piperidine
CID 90202035
ethane;2-[4-(1-ethylpiperidin-4-yl)phenyl]ethanamine;molecular hydrogen
CID 155707716

Frequently Asked Questions

What is the IUPAC name of 6-ethenyl-3-[4-(1-ethylpiperidin-4-yl)phenyl]imidazo[1,2-b]pyridazine?
The IUPAC name of 6-ethenyl-3-[4-(1-ethylpiperidin-4-yl)phenyl]imidazo[1,2-b]pyridazine (CID 89494028) is 6-ethenyl-3-[4-(1-ethylpiperidin-4-yl)phenyl]imidazo[1,2-b]pyridazine.
What is the SMILES notation for 6-ethenyl-3-[4-(1-ethylpiperidin-4-yl)phenyl]imidazo[1,2-b]pyridazine?
The canonical SMILES for 6-ethenyl-3-[4-(1-ethylpiperidin-4-yl)phenyl]imidazo[1,2-b]pyridazine is C=Cc1ccc2ncc(-c3ccc(C4CCN(CC)CC4)cc3)n2n1.
What is the InChIKey of 6-ethenyl-3-[4-(1-ethylpiperidin-4-yl)phenyl]imidazo[1,2-b]pyridazine?
The InChIKey is FHWGKYGONUXYNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4/c1-3-19-9-10-21-22-15-20(25(21)23-19)18-7-5-16(6-8-18)17-11-13-24(4-2)14-12-17/h3,5-10,15,17H,1,4,11-14H2,2H3.
What are the key properties of 6-ethenyl-3-[4-(1-ethylpiperidin-4-yl)phenyl]imidazo[1,2-b]pyridazine?
6-ethenyl-3-[4-(1-ethylpiperidin-4-yl)phenyl]imidazo[1,2-b]pyridazine has a molecular weight of 332.45 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethenyl-3-[4-(1-ethylpiperidin-4-yl)phenyl]imidazo[1,2-b]pyridazine is sourced from PubChem (CID 89494028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).