N-tert-butyl-4-fluoro-3-[3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-6-yl]benzamide

C24H23FN4O3S — CID 90670286

IUPACN-tert-butyl-4-fluoro-3-[3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-6-yl]benzamide
SMILESCC(C)(C)NC(=O)c1ccc(F)c(-c2ccc3ncc(-c4ccc(S(C)(=O)=O)cc4)n3n2)c1
InChIInChI=1S/C24H23FN4O3S/c1-24(2,3)27-23(30)16-7-10-19(25)18(13-16)20-11-12-22-26-14-21(29(22)28-20)15-5-8-17(9-6-15)33(4,31)32/h5-14H,1-4H3,(H,27,30)
InChIKeyJUZROJURZDAZOY-UHFFFAOYSA-N
MW466.54 g/mol
LogP4.13
Rot. Bonds4

About N-tert-butyl-4-fluoro-3-[3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-6-yl]benzamide

N-tert-butyl-4-fluoro-3-[3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-6-yl]benzamide (PubChem CID 90670286) has the molecular formula C24H23FN4O3S and a molecular weight of 466.54 g/mol. Its IUPAC name is N-tert-butyl-4-fluoro-3-[3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-6-yl]benzamide.

Molecular Properties

Compound NameN-tert-butyl-4-fluoro-3-[3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-6-yl]benzamide
PubChem CID90670286
Molecular FormulaC24H23FN4O3S
Molecular Weight466.54 g/mol
Exact Mass466.15
IUPAC NameN-tert-butyl-4-fluoro-3-[3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-6-yl]benzamide
SMILESCC(C)(C)NC(=O)c1ccc(F)c(-c2ccc3ncc(-c4ccc(S(C)(=O)=O)cc4)n3n2)c1
InChIInChI=1S/C24H23FN4O3S/c1-24(2,3)27-23(30)16-7-10-19(25)18(13-16)20-11-12-22-26-14-21(29(22)28-20)15-5-8-17(9-6-15)33(4,31)32/h5-14H,1-4H3,(H,27,30)
InChIKeyJUZROJURZDAZOY-UHFFFAOYSA-N
XLogP4.13
TPSA93.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.54
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-tert-butyl-4-fluoro-3-[3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-6-yl]benzamide 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 N-tert-butyl-4-fluoro-3-[3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-6-yl]benzamide?
The IUPAC name of N-tert-butyl-4-fluoro-3-[3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-6-yl]benzamide (CID 90670286) is N-tert-butyl-4-fluoro-3-[3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-6-yl]benzamide.
What is the SMILES notation for N-tert-butyl-4-fluoro-3-[3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-6-yl]benzamide?
The canonical SMILES for N-tert-butyl-4-fluoro-3-[3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-6-yl]benzamide is CC(C)(C)NC(=O)c1ccc(F)c(-c2ccc3ncc(-c4ccc(S(C)(=O)=O)cc4)n3n2)c1.
What is the InChIKey of N-tert-butyl-4-fluoro-3-[3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-6-yl]benzamide?
The InChIKey is JUZROJURZDAZOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4O3S/c1-24(2,3)27-23(30)16-7-10-19(25)18(13-16)20-11-12-22-26-14-21(29(22)28-20)15-5-8-17(9-6-15)33(4,31)32/h5-14H,1-4H3,(H,27,30).
What are the key properties of N-tert-butyl-4-fluoro-3-[3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-6-yl]benzamide?
N-tert-butyl-4-fluoro-3-[3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-6-yl]benzamide has a molecular weight of 466.54 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-fluoro-3-[3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-6-yl]benzamide is sourced from PubChem (CID 90670286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).