methyl[(5-methyl-1H-pyrazol-3-yl)methyl]({5-methylimidazo[1,2-a]pyridin-2-yl}methyl)amine

• ChemBase ID: 670876
• Molecular Formular: C15H19N5
• Molecular Mass: 269.34486
• Monoisotopic Mass: 269.16404563
• SMILES: n12c(nc(c1)CN(Cc1n[nH]c(c1)C)C)cccc2C
• Canonical SMILES: CN(Cc1nc2n(c1)c(C)ccc2)Cc1n[nH]c(c1)C
• InChI: InChI=1S/C15H19N5/c1-11-7-13(18-17-11)8-19(3)9-14-10-20-12(2)5-4-6-15(20)16-14/h4-7,10H,8-9H2,1-3H3,(H,17,18)
• InChIKey: KUZOROONFOYRLN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl[(5-methyl-1H-pyrazol-3-yl)methyl]({5-methylimidazo[1,2-a]pyridin-2-yl}methyl)amine
• IUPAC Traditional name: methyl[(5-methyl-1H-pyrazol-3-yl)methyl]({5-methylimidazo[1,2-a]pyridin-2-yl}methyl)amine
• Synonyms: N-methyl-1-(5-methylimidazo[1,2-a]pyridin-2-yl)-N-[(5-methyl-1H-pyrazol-3-yl)methyl]methanamine

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.48528
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.48720455
• LogD (pH = 7.4): 1.261236
• Log P: 1.2916697
• Molar Refractivity: 82.0341 cm^3
• Polarizability: 30.261055 Å^3
• Polar Surface Area: 49.22 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: 1.68
• LOG S: -2.74
• Polar Surface Area: 49.22 Å^2
• Rotatable Bonds: 4