4-[6-[(4-fluorophenyl)methyl]imidazo[1,2-b]pyridazin-3-yl]benzamide

C20H15FN4O — CID 90480121

IUPAC4-[6-[(4-fluorophenyl)methyl]imidazo[1,2-b]pyridazin-3-yl]benzamide
SMILESNC(=O)c1ccc(-c2cnc3ccc(Cc4ccc(F)cc4)nn23)cc1
InChIInChI=1S/C20H15FN4O/c21-16-7-1-13(2-8-16)11-17-9-10-19-23-12-18(25(19)24-17)14-3-5-15(6-4-14)20(22)26/h1-10,12H,11H2,(H2,22,26)
InChIKeyVPBZVJSBZKCACU-UHFFFAOYSA-N
MW346.37 g/mol
LogP3.23
Rot. Bonds4

About 4-[6-[(4-fluorophenyl)methyl]imidazo[1,2-b]pyridazin-3-yl]benzamide

4-[6-[(4-fluorophenyl)methyl]imidazo[1,2-b]pyridazin-3-yl]benzamide (PubChem CID 90480121) has the molecular formula C20H15FN4O and a molecular weight of 346.37 g/mol. Its IUPAC name is 4-[6-[(4-fluorophenyl)methyl]imidazo[1,2-b]pyridazin-3-yl]benzamide.

Molecular Properties

Compound Name4-[6-[(4-fluorophenyl)methyl]imidazo[1,2-b]pyridazin-3-yl]benzamide
PubChem CID90480121
Molecular FormulaC20H15FN4O
Molecular Weight346.37 g/mol
Exact Mass346.12
IUPAC Name4-[6-[(4-fluorophenyl)methyl]imidazo[1,2-b]pyridazin-3-yl]benzamide
SMILESNC(=O)c1ccc(-c2cnc3ccc(Cc4ccc(F)cc4)nn23)cc1
InChIInChI=1S/C20H15FN4O/c21-16-7-1-13(2-8-16)11-17-9-10-19-23-12-18(25(19)24-17)14-3-5-15(6-4-14)20(22)26/h1-10,12H,11H2,(H2,22,26)
InChIKeyVPBZVJSBZKCACU-UHFFFAOYSA-N
XLogP3.23
TPSA73.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.37
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[6-[(4-fluorophenyl)methyl]imidazo[1,2-b]pyridazin-3-yl]benzamide?
The IUPAC name of 4-[6-[(4-fluorophenyl)methyl]imidazo[1,2-b]pyridazin-3-yl]benzamide (CID 90480121) is 4-[6-[(4-fluorophenyl)methyl]imidazo[1,2-b]pyridazin-3-yl]benzamide.
What is the SMILES notation for 4-[6-[(4-fluorophenyl)methyl]imidazo[1,2-b]pyridazin-3-yl]benzamide?
The canonical SMILES for 4-[6-[(4-fluorophenyl)methyl]imidazo[1,2-b]pyridazin-3-yl]benzamide is NC(=O)c1ccc(-c2cnc3ccc(Cc4ccc(F)cc4)nn23)cc1.
What is the InChIKey of 4-[6-[(4-fluorophenyl)methyl]imidazo[1,2-b]pyridazin-3-yl]benzamide?
The InChIKey is VPBZVJSBZKCACU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN4O/c21-16-7-1-13(2-8-16)11-17-9-10-19-23-12-18(25(19)24-17)14-3-5-15(6-4-14)20(22)26/h1-10,12H,11H2,(H2,22,26).
What are the key properties of 4-[6-[(4-fluorophenyl)methyl]imidazo[1,2-b]pyridazin-3-yl]benzamide?
4-[6-[(4-fluorophenyl)methyl]imidazo[1,2-b]pyridazin-3-yl]benzamide has a molecular weight of 346.37 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[(4-fluorophenyl)methyl]imidazo[1,2-b]pyridazin-3-yl]benzamide is sourced from PubChem (CID 90480121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).