2-(4-{imidazo[1,2-b]pyridazine-3-carbonyl}morpholin-3-yl)-N-(2-methylpropyl)acetamide

• ChemBase ID: 726461
• Molecular Formular: C17H23N5O3
• Molecular Mass: 345.39622
• Monoisotopic Mass: 345.18008962
• SMILES: c1(n2c(nc1)cccn2)C(=O)N1C(CC(=O)NCC(C)C)COCC1
• Canonical SMILES: CC(CNC(=O)CC1COCCN1C(=O)c1cnc2n1nccc2)C
• InChI: InChI=1S/C17H23N5O3/c1-12(2)9-19-16(23)8-13-11-25-7-6-21(13)17(24)14-10-18-15-4-3-5-20-22(14)15/h3-5,10,12-13H,6-9,11H2,1-2H3,(H,19,23)
• InChIKey: KSATXTMRWRMSOG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-{imidazo[1,2-b]pyridazine-3-carbonyl}morpholin-3-yl)-N-(2-methylpropyl)acetamide
• IUPAC Traditional name: 2-(4-{imidazo[1,2-b]pyridazine-3-carbonyl}morpholin-3-yl)-N-(2-methylpropyl)acetamide
• Synonyms: 2-[4-(imidazo[1,2-b]pyridazin-3-ylcarbonyl)-3-morpholinyl]-N-isobutylacetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.192066
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.08819988
• LogD (pH = 7.4): 0.08826463
• Log P: 0.08826546
• Molar Refractivity: 102.5147 cm^3
• Polarizability: 34.88626 Å^3
• Polar Surface Area: 88.83 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: -0.99
• LOG S: -2.18
• Polar Surface Area: 88.83 Å^2
• Rotatable Bonds: 5