(2R)-2-({3-fluoro-6-methylimidazo[1,2-a]pyridin-2-yl}formamido)propanamide

• ChemBase ID: 847549
• Molecular Formular: C12H13FN4O2
• Molecular Mass: 264.2556232
• Monoisotopic Mass: 264.1022539
• SMILES: c1(c(n2c(n1)ccc(c2)C)F)C(=O)N[C@@H](C(=O)N)C
• Canonical SMILES: NC(=O)[C@H](NC(=O)c1nc2n(c1F)cc(cc2)C)C
• InChI: InChI=1S/C12H13FN4O2/c1-6-3-4-8-16-9(10(13)17(8)5-6)12(19)15-7(2)11(14)18/h3-5,7H,1-2H3,(H2,14,18)(H,15,19)/t7-/m1/s1
• InChIKey: TYHBPXYGWSYHHI-SSDOTTSWSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R)-2-({3-fluoro-6-methylimidazo[1,2-a]pyridin-2-yl}formamido)propanamide
• IUPAC Traditional name: (2R)-2-({3-fluoro-6-methylimidazo[1,2-a]pyridin-2-yl}formamido)propanamide
• Synonyms: N-[(1R)-2-amino-1-methyl-2-oxoethyl]-3-fluoro-6-methylimidazo[1,2-a]pyridine-2-carboxamide (non-preferred name)

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.663745
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.004260498
• LogD (pH = 7.4): 0.0043857396
• Log P: 0.0044085206
• Molar Refractivity: 67.1523 cm^3
• Polarizability: 24.429169 Å^3
• Polar Surface Area: 89.49 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: 0.37
• LOG S: -1.44
• Polar Surface Area: 89.49 Å^2
• Rotatable Bonds: 3