1-{imidazo[1,2-b]pyridazin-6-yl}-4-[(1-propyl-1H-imidazol-2-yl)methyl]piperazine

• ChemBase ID: 501269
• Molecular Formular: C17H23N7
• Molecular Mass: 325.41142
• Monoisotopic Mass: 325.20149377
• SMILES: n1n2c(ncc2)ccc1N1CCN(Cc2n(ccn2)CCC)CC1
• Canonical SMILES: CCCn1ccnc1CN1CCN(CC1)c1ccc2n(n1)ccn2
• InChI: InChI=1S/C17H23N7/c1-2-7-22-8-5-19-17(22)14-21-10-12-23(13-11-21)16-4-3-15-18-6-9-24(15)20-16/h3-6,8-9H,2,7,10-14H2,1H3
• InChIKey: LSZQVMGORRQLCG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{imidazo[1,2-b]pyridazin-6-yl}-4-[(1-propyl-1H-imidazol-2-yl)methyl]piperazine
• IUPAC Traditional name: 1-{imidazo[1,2-b]pyridazin-6-yl}-4-[(1-propylimidazol-2-yl)methyl]piperazine
• Synonyms: 6-{4-[(1-propyl-1H-imidazol-2-yl)methyl]piperazin-1-yl}imidazo[1,2-b]pyridazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.196482
• LogD (pH = 7.4): 1.9560918
• Log P: 1.9847696
• Molar Refractivity: 105.6295 cm^3
• Polarizability: 35.381527 Å^3
• Polar Surface Area: 54.49 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.97
• LOG S: -1.39
• Polar Surface Area: 54.49 Å^2
• Rotatable Bonds: 5