N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}-2-(propan-2-yloxy)propanamide

• ChemBase ID: 417415
• Molecular Formular: C13H21N3O2
• Molecular Mass: 251.32474
• Monoisotopic Mass: 251.16337693
• SMILES: c1(n2c(nc1)CCCC2)NC(=O)C(OC(C)C)C
• Canonical SMILES: CC(OC(C(=O)Nc1cnc2n1CCCC2)C)C
• InChI: InChI=1S/C13H21N3O2/c1-9(2)18-10(3)13(17)15-12-8-14-11-6-4-5-7-16(11)12/h8-10H,4-7H2,1-3H3,(H,15,17)
• InChIKey: XYLDYQMBZWXHIQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}-2-(propan-2-yloxy)propanamide
• IUPAC Traditional name: N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}-2-isopropoxypropanamide
• Synonyms: 2-isopropoxy-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.057277
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.7011991
• LogD (pH = 7.4): 1.3392956
• Log P: 1.3681153
• Molar Refractivity: 70.0775 cm^3
• Polarizability: 26.580816 Å^3
• Polar Surface Area: 56.15 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.34
• LOG S: -2.18
• Polar Surface Area: 56.15 Å^2
• Rotatable Bonds: 4