6-(1-methyl-1H-imidazol-2-yl)-N-({6-methylimidazo[1,2-a]pyridin-2-yl}methyl)pyridazin-3-amine

• ChemBase ID: 627169
• Molecular Formular: C17H17N7
• Molecular Mass: 319.36378
• Monoisotopic Mass: 319.15454358
• SMILES: n12c(nc(c1)CNc1nnc(c3n(ccn3)C)cc1)ccc(c2)C
• Canonical SMILES: Cc1ccc2n(c1)cc(n2)CNc1ccc(nn1)c1nccn1C
• InChI: InChI=1S/C17H17N7/c1-12-3-6-16-20-13(11-24(16)10-12)9-19-15-5-4-14(21-22-15)17-18-7-8-23(17)2/h3-8,10-11H,9H2,1-2H3,(H,19,22)
• InChIKey: YKNIBJNTSJVZDK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(1-methyl-1H-imidazol-2-yl)-N-({6-methylimidazo[1,2-a]pyridin-2-yl}methyl)pyridazin-3-amine
• IUPAC Traditional name: N-({6-methylimidazo[1,2-a]pyridin-2-yl}methyl)-6-(1-methylimidazol-2-yl)pyridazin-3-amine
• Synonyms: 6-(1-methyl-1H-imidazol-2-yl)-N-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]pyridazin-3-amine

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.105583
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.72366077
• LogD (pH = 7.4): 1.43719
• Log P: 1.4645357
• Molar Refractivity: 105.8628 cm^3
• Polarizability: 34.685566 Å^3
• Polar Surface Area: 72.93 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.49
• LOG S: -2.8
• Polar Surface Area: 72.93 Å^2
• Rotatable Bonds: 4