6-methyl-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]imidazo[1,2-a]pyridine-2-carboxamide

• ChemBase ID: 398597
• Molecular Formular: C18H20N4O3
• Molecular Mass: 340.3764
• Monoisotopic Mass: 340.15354052
• SMILES: c1(nc2n(c1)cc(cc2)C)C(=O)N[C@@H]1[C@H](Cc2onc(c2)C)COC1
• Canonical SMILES: Cc1noc(c1)C[C@@H]1COC[C@@H]1NC(=O)c1nc2n(c1)cc(cc2)C
• InChI: InChI=1S/C18H20N4O3/c1-11-3-4-17-19-15(8-22(17)7-11)18(23)20-16-10-24-9-13(16)6-14-5-12(2)21-25-14/h3-5,7-8,13,16H,6,9-10H2,1-2H3,(H,20,23)/t13-,16+/m1/s1
• InChIKey: XKWVUTQYSWUPRT-CJNGLKHVSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methyl-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]imidazo[1,2-a]pyridine-2-carboxamide
• IUPAC Traditional name: 6-methyl-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]imidazo[1,2-a]pyridine-2-carboxamide
• Synonyms: 6-methyl-N-{(3R*,4S*)-4-[(3-methylisoxazol-5-yl)methyl]tetrahydrofuran-3-yl}imidazo[1,2-a]pyridine-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.736249
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.9430059
• LogD (pH = 7.4): 0.9519539
• Log P: 0.9520693
• Molar Refractivity: 93.3682 cm^3
• Polarizability: 34.44926 Å^3
• Polar Surface Area: 81.66 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 1.07
• LOG S: -2.6
• Polar Surface Area: 81.66 Å^2
• Rotatable Bonds: 4