3-fluoro-5-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: 788522
• Molecular Formular: C18H19FN4O3
• Molecular Mass: 358.3668632
• Monoisotopic Mass: 358.14411871
• SMILES: c1(c(n2c(n1)cccc2C)F)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(c1F)c(C)ccc2
• InChI: InChI=1S/C18H19FN4O3/c1-10-6-13(26-22-10)7-12-8-25-9-14(12)20-18(24)16-17(19)23-11(2)4-3-5-15(23)21-16/h3-6,12,14H,7-9H2,1-2H3,(H,20,24)/t12-,14+/m1/s1
• InChIKey: URJOQNIDKBFFPU-OCCSQVGLSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-fluoro-5-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: 3-fluoro-5-methyl-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]imidazo[1,2-a]pyridine-2-carboxamide
• Synonyms: 3-fluoro-5-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: 11.680247
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.669588
• LogD (pH = 7.4): 0.669654
• Log P: 0.6696753
• Molar Refractivity: 93.6476 cm^3
• Polarizability: 34.19681 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: 0.95
• LOG S: -2.62
• Polar Surface Area: 81.66 Å^2
• Rotatable Bonds: 4