methyl({[8-methyl-2-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl})(pyrazin-2-ylmethyl)amine

• ChemBase ID: 655531
• Molecular Formular: C20H24N6O2
• Molecular Mass: 380.44356
• Monoisotopic Mass: 380.19607404
• SMILES: c1(c(n2c(n1)c(ccc2)C)CN(Cc1nccnc1)C)C(=O)N1CCOCC1
• Canonical SMILES: CN(Cc1c(nc2n1cccc2C)C(=O)N1CCOCC1)Cc1cnccn1
• InChI: InChI=1S/C20H24N6O2/c1-15-4-3-7-26-17(14-24(2)13-16-12-21-5-6-22-16)18(23-19(15)26)20(27)25-8-10-28-11-9-25/h3-7,12H,8-11,13-14H2,1-2H3
• InChIKey: LNQYBPLTVJJVHH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl({[8-methyl-2-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl})(pyrazin-2-ylmethyl)amine
• IUPAC Traditional name: methyl({[8-methyl-2-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl})(pyrazin-2-ylmethyl)amine
• Synonyms: N-methyl-1-[8-methyl-2-(morpholin-4-ylcarbonyl)imidazo[1,2-a]pyridin-3-yl]-N-(pyrazin-2-ylmethyl)methanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): -0.44722298
• LogD (pH = 7.4): -0.038426463
• Log P: -0.029688843
• Molar Refractivity: 106.7487 cm^3
• Polarizability: 40.08358 Å^3
• Polar Surface Area: 75.86 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: -0.97
• LOG S: -2.46
• Polar Surface Area: 75.86 Å^2
• Rotatable Bonds: 5