N-[(1S,2R)-2-aminocyclobutyl]-2-{8-methylimidazo[1,2-a]pyridin-3-yl}acetamide

• ChemBase ID: 731866
• Molecular Formular: C14H18N4O
• Molecular Mass: 258.31892
• Monoisotopic Mass: 258.14806122
• SMILES: c12n(c(cn1)CC(=O)N[C@@H]1[C@@H](CC1)N)cccc2C
• Canonical SMILES: Cc1cccn2c1ncc2CC(=O)N[C@H]1CC[C@H]1N
• InChI: InChI=1S/C14H18N4O/c1-9-3-2-6-18-10(8-16-14(9)18)7-13(19)17-12-5-4-11(12)15/h2-3,6,8,11-12H,4-5,7,15H2,1H3,(H,17,19)/t11-,12+/m1/s1
• InChIKey: ONVMVNWVUHWKRY-NEPJUHHUSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(1S,2R)-2-aminocyclobutyl]-2-{8-methylimidazo[1,2-a]pyridin-3-yl}acetamide
• IUPAC Traditional name: N-[(1S,2R)-2-aminocyclobutyl]-2-{8-methylimidazo[1,2-a]pyridin-3-yl}acetamide
• Synonyms: N-[(1S*,2R*)-2-aminocyclobutyl]-2-(8-methylimidazo[1,2-a]pyridin-3-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.453885
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -3.7735617
• LogD (pH = 7.4): -1.893249
• Log P: -0.024198523
• Molar Refractivity: 73.7128 cm^3
• Polarizability: 28.102516 Å^3
• Polar Surface Area: 72.42 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: -0.45
• LOG S: -2.01
• Polar Surface Area: 72.42 Å^2
• Rotatable Bonds: 3