(2S)-2-amino-N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}-3-phenylpropanamide

• ChemBase ID: 527666
• Molecular Formular: C16H20N4O
• Molecular Mass: 284.3562
• Monoisotopic Mass: 284.16371128
• SMILES: c1(n2c(nc1)CCCC2)NC(=O)[C@H](Cc1ccccc1)N
• Canonical SMILES: O=C([C@H](Cc1ccccc1)N)Nc1cnc2n1CCCC2
• InChI: InChI=1S/C16H20N4O/c17-13(10-12-6-2-1-3-7-12)16(21)19-15-11-18-14-8-4-5-9-20(14)15/h1-3,6-7,11,13H,4-5,8-10,17H2,(H,19,21)/t13-/m0/s1
• InChIKey: SCBOYIHTDFFGSC-ZDUSSCGKSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S)-2-amino-N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}-3-phenylpropanamide
• IUPAC Traditional name: (2S)-2-amino-N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}-3-phenylpropanamide
• Synonyms: N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-L-phenylalaninamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.347406
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.5593888
• LogD (pH = 7.4): 0.7779186
• Log P: 1.5010504
• Molar Refractivity: 82.4354 cm^3
• Polarizability: 31.463741 Å^3
• Polar Surface Area: 72.94 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 0.89
• LOG S: -2.03
• Polar Surface Area: 72.94 Å^2
• Rotatable Bonds: 4