methyl({3-methylimidazo[1,5-a]pyridin-1-yl}methyl)[2-(morpholin-4-yl)propyl]amine

• ChemBase ID: 487549
• Molecular Formular: C17H26N4O
• Molecular Mass: 302.41454
• Monoisotopic Mass: 302.21066147
• SMILES: c1(nc(n2c1cccc2)C)CN(CC(N1CCOCC1)C)C
• Canonical SMILES: CN(Cc1nc(n2c1cccc2)C)CC(N1CCOCC1)C
• InChI: InChI=1S/C17H26N4O/c1-14(20-8-10-22-11-9-20)12-19(3)13-16-17-6-4-5-7-21(17)15(2)18-16/h4-7,14H,8-13H2,1-3H3
• InChIKey: MIDDDUOYCWZGHC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl({3-methylimidazo[1,5-a]pyridin-1-yl}methyl)[2-(morpholin-4-yl)propyl]amine
• IUPAC Traditional name: methyl({3-methylimidazo[1,5-a]pyridin-1-yl}methyl)[2-(morpholin-4-yl)propyl]amine
• Synonyms: N-methyl-N-[(3-methylimidazo[1,5-a]pyridin-1-yl)methyl]-2-morpholin-4-ylpropan-1-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -2.397951
• LogD (pH = 7.4): -0.13590568
• Log P: 0.77405816
• Molar Refractivity: 90.3103 cm^3
• Polarizability: 35.321293 Å^3
• Polar Surface Area: 33.01 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: 0.95
• LOG S: -1.21
• Polar Surface Area: 33.01 Å^2
• Rotatable Bonds: 5