(2S)-2-{imidazo[1,2-a]pyridin-6-ylformamido}-4-methylpentanamide

• ChemBase ID: 628403
• Molecular Formular: C14H18N4O2
• Molecular Mass: 274.31832
• Monoisotopic Mass: 274.14297584
• SMILES: c1(cn2c(ncc2)cc1)C(=O)N[C@H](C(=O)N)CC(C)C
• Canonical SMILES: CC(C[C@@H](C(=O)N)NC(=O)c1ccc2n(c1)ccn2)C
• InChI: InChI=1S/C14H18N4O2/c1-9(2)7-11(13(15)19)17-14(20)10-3-4-12-16-5-6-18(12)8-10/h3-6,8-9,11H,7H2,1-2H3,(H2,15,19)(H,17,20)/t11-/m0/s1
• InChIKey: MTPKRBZRFHPAIQ-NSHDSACASA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S)-2-{imidazo[1,2-a]pyridin-6-ylformamido}-4-methylpentanamide
• IUPAC Traditional name: (2S)-2-{imidazo[1,2-a]pyridin-6-ylformamido}-4-methylpentanamide
• Synonyms: N-[(1S)-1-(aminocarbonyl)-3-methylbutyl]imidazo[1,2-a]pyridine-6-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.30014
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.30238444
• LogD (pH = 7.4): 0.30308416
• Log P: 0.32778087
• Molar Refractivity: 75.9858 cm^3
• Polarizability: 28.403027 Å^3
• Polar Surface Area: 89.49 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: 1.08
• LOG S: -2.12
• Polar Surface Area: 89.49 Å^2
• Rotatable Bonds: 5