6-chloro-2-methyl-3-(4-methylbenzoyl)imidazo[1,2-b]pyridazine

• ChemBase ID: 79055
• Molecular Formular: C15H12ClN3O
• Molecular Mass: 285.72828
• Monoisotopic Mass: 285.0668897
• SMILES: n12c(c(C)nc1ccc(n2)Cl)C(=O)c1ccc(cc1)C
• Canonical SMILES: Cc1ccc(cc1)C(=O)c1c(C)nc2n1nc(Cl)cc2
• InChI: InChI=1S/C15H12ClN3O/c1-9-3-5-11(6-4-9)15(20)14-10(2)17-13-8-7-12(16)18-19(13)14/h3-8H,1-2H3
• InChIKey: KSJNIHOMFKCMKD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-chloro-2-methyl-3-(4-methylbenzoyl)imidazo[1,2-b]pyridazine
• IUPAC Traditional name: 6-chloro-2-methyl-3-(4-methylbenzoyl)imidazo[1,2-b]pyridazine
• Synonyms: (6-chloro-2-methylimidazo[1,2-b]pyridazin-3-yl)(4-methylphenyl)methanone

Database IDs

• MDL Number: MFCD00117562
• PubChem SID: 162043818
• PubChem CID: 2774640

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.4931934
• LogD (pH = 7.4): 3.5012367
• Log P: 3.5013402
• Molar Refractivity: 89.7254 cm^3
• Polarizability: 29.523752 Å^3
• Polar Surface Area: 47.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true