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

• ChemBase ID: 546154
• Molecular Formular: C20H19N5O
• Molecular Mass: 345.39776
• Monoisotopic Mass: 345.15896025
• SMILES: n12c(nc(c1)CNc1nnc(c3c(OC)cccc3)cc1)ccc(c2)C
• Canonical SMILES: COc1ccccc1c1ccc(nn1)NCc1cn2c(n1)ccc(c2)C
• InChI: InChI=1S/C20H19N5O/c1-14-7-10-20-22-15(13-25(20)12-14)11-21-19-9-8-17(23-24-19)16-5-3-4-6-18(16)26-2/h3-10,12-13H,11H2,1-2H3,(H,21,24)
• InChIKey: WZXRMBZGHUWDOE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.390684
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 2.0814219
• LogD (pH = 7.4): 2.7967446
• Log P: 2.8241136
• Molar Refractivity: 104.5091 cm^3
• Polarizability: 39.32206 Å^3
• Polar Surface Area: 64.34 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.71
• LOG S: -4.03
• Polar Surface Area: 64.34 Å^2
• Rotatable Bonds: 5