6-(1-ethoxyethenyl)-3-[1-(6-fluoro-1-methylindazol-5-yl)ethyl]imidazo[1,2-b]pyridazine

C20H20FN5O — CID 58190523

IUPAC6-(1-ethoxyethenyl)-3-[1-(6-fluoro-1-methylindazol-5-yl)ethyl]imidazo[1,2-b]pyridazine
SMILESC=C(OCC)c1ccc2ncc(C(C)c3cc4cnn(C)c4cc3F)n2n1
InChIInChI=1S/C20H20FN5O/c1-5-27-13(3)17-6-7-20-22-11-19(26(20)24-17)12(2)15-8-14-10-23-25(4)18(14)9-16(15)21/h6-12H,3,5H2,1-2,4H3
InChIKeyJPFPUIVEKFDIOV-UHFFFAOYSA-N
MW365.41 g/mol
LogP3.91
Rot. Bonds5

About 6-(1-ethoxyethenyl)-3-[1-(6-fluoro-1-methylindazol-5-yl)ethyl]imidazo[1,2-b]pyridazine

6-(1-ethoxyethenyl)-3-[1-(6-fluoro-1-methylindazol-5-yl)ethyl]imidazo[1,2-b]pyridazine (PubChem CID 58190523) has the molecular formula C20H20FN5O and a molecular weight of 365.41 g/mol. Its IUPAC name is 6-(1-ethoxyethenyl)-3-[1-(6-fluoro-1-methylindazol-5-yl)ethyl]imidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name6-(1-ethoxyethenyl)-3-[1-(6-fluoro-1-methylindazol-5-yl)ethyl]imidazo[1,2-b]pyridazine
PubChem CID58190523
Molecular FormulaC20H20FN5O
Molecular Weight365.41 g/mol
Exact Mass365.17
IUPAC Name6-(1-ethoxyethenyl)-3-[1-(6-fluoro-1-methylindazol-5-yl)ethyl]imidazo[1,2-b]pyridazine
SMILESC=C(OCC)c1ccc2ncc(C(C)c3cc4cnn(C)c4cc3F)n2n1
InChIInChI=1S/C20H20FN5O/c1-5-27-13(3)17-6-7-20-22-11-19(26(20)24-17)12(2)15-8-14-10-23-25(4)18(14)9-16(15)21/h6-12H,3,5H2,1-2,4H3
InChIKeyJPFPUIVEKFDIOV-UHFFFAOYSA-N
XLogP3.91
TPSA57.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze 6-(1-ethoxyethenyl)-3-[1-(6-fluoro-1-methylindazol-5-yl)ethyl]imidazo[1,2-b]pyridazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(1-ethoxyethenyl)-3-[1-(6-fluoro-1-methylindazol-5-yl)ethyl]imidazo[1,2-b]pyridazine?
The IUPAC name of 6-(1-ethoxyethenyl)-3-[1-(6-fluoro-1-methylindazol-5-yl)ethyl]imidazo[1,2-b]pyridazine (CID 58190523) is 6-(1-ethoxyethenyl)-3-[1-(6-fluoro-1-methylindazol-5-yl)ethyl]imidazo[1,2-b]pyridazine.
What is the SMILES notation for 6-(1-ethoxyethenyl)-3-[1-(6-fluoro-1-methylindazol-5-yl)ethyl]imidazo[1,2-b]pyridazine?
The canonical SMILES for 6-(1-ethoxyethenyl)-3-[1-(6-fluoro-1-methylindazol-5-yl)ethyl]imidazo[1,2-b]pyridazine is C=C(OCC)c1ccc2ncc(C(C)c3cc4cnn(C)c4cc3F)n2n1.
What is the InChIKey of 6-(1-ethoxyethenyl)-3-[1-(6-fluoro-1-methylindazol-5-yl)ethyl]imidazo[1,2-b]pyridazine?
The InChIKey is JPFPUIVEKFDIOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN5O/c1-5-27-13(3)17-6-7-20-22-11-19(26(20)24-17)12(2)15-8-14-10-23-25(4)18(14)9-16(15)21/h6-12H,3,5H2,1-2,4H3.
What are the key properties of 6-(1-ethoxyethenyl)-3-[1-(6-fluoro-1-methylindazol-5-yl)ethyl]imidazo[1,2-b]pyridazine?
6-(1-ethoxyethenyl)-3-[1-(6-fluoro-1-methylindazol-5-yl)ethyl]imidazo[1,2-b]pyridazine has a molecular weight of 365.41 g/mol, XLogP of 3.91, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-ethoxyethenyl)-3-[1-(6-fluoro-1-methylindazol-5-yl)ethyl]imidazo[1,2-b]pyridazine is sourced from PubChem (CID 58190523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).