(2R)-2-amino-N-{imidazo[1,2-a]pyridin-2-ylmethyl}-4-methylpentanamide

• ChemBase ID: 628226
• Molecular Formular: C14H20N4O
• Molecular Mass: 260.3348
• Monoisotopic Mass: 260.16371128
• SMILES: n1c2n(cc1CNC(=O)[C@@H](CC(C)C)N)cccc2
• Canonical SMILES: CC(C[C@H](C(=O)NCc1nc2n(c1)cccc2)N)C
• InChI: InChI=1S/C14H20N4O/c1-10(2)7-12(15)14(19)16-8-11-9-18-6-4-3-5-13(18)17-11/h3-6,9-10,12H,7-8,15H2,1-2H3,(H,16,19)/t12-/m1/s1
• InChIKey: GFYMIKIQJWJFBS-GFCCVEGCSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R)-2-amino-N-{imidazo[1,2-a]pyridin-2-ylmethyl}-4-methylpentanamide
• IUPAC Traditional name: (2R)-2-amino-N-{imidazo[1,2-a]pyridin-2-ylmethyl}-4-methylpentanamide
• Synonyms: N~1~-(imidazo[1,2-a]pyridin-2-ylmethyl)-D-leucinamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.823757
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.5305402
• LogD (pH = 7.4): -0.39602673
• Log P: 0.6843809
• Molar Refractivity: 74.8586 cm^3
• Polarizability: 28.906784 Å^3
• Polar Surface Area: 72.42 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 0.93
• LOG S: -1.89
• Polar Surface Area: 72.42 Å^2
• Rotatable Bonds: 5