3-fluoro-5-methyl-N-[(1R,2S)-2-phenylcyclopropyl]imidazo[1,2-a]pyridine-2-carboxamide

• ChemBase ID: 865966
• Molecular Formular: C18H16FN3O
• Molecular Mass: 309.3375432
• Monoisotopic Mass: 309.12774037
• SMILES: c1(c(n2c(n1)cccc2C)F)C(=O)N[C@H]1[C@@H](C1)c1ccccc1
• Canonical SMILES: O=C(c1nc2n(c1F)c(C)ccc2)N[C@@H]1C[C@H]1c1ccccc1
• InChI: InChI=1S/C18H16FN3O/c1-11-6-5-9-15-21-16(17(19)22(11)15)18(23)20-14-10-13(14)12-7-3-2-4-8-12/h2-9,13-14H,10H2,1H3,(H,20,23)/t13-,14+/m0/s1
• InChIKey: HIWNNJBHWGGTHF-UONOGXRCSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-fluoro-5-methyl-N-[(1R,2S)-2-phenylcyclopropyl]imidazo[1,2-a]pyridine-2-carboxamide
• IUPAC Traditional name: 3-fluoro-5-methyl-N-[(1R,2S)-2-phenylcyclopropyl]imidazo[1,2-a]pyridine-2-carboxamide
• Synonyms: 3-fluoro-5-methyl-N-[(1R*,2S*)-2-phenylcyclopropyl]imidazo[1,2-a]pyridine-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.704036
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.4150028
• LogD (pH = 7.4): 2.4150648
• Log P: 2.4150848
• Molar Refractivity: 86.6379 cm^3
• Polarizability: 31.947018 Å^3
• Polar Surface Area: 46.4 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 2.61
• LOG S: -3.69
• Polar Surface Area: 46.4 Å^2
• Rotatable Bonds: 3