3-fluoro-N-[(3R)-piperidin-3-yl]imidazo[1,2-a]pyridine-2-carboxamide

• ChemBase ID: 489655
• Molecular Formular: C13H15FN4O
• Molecular Mass: 262.2828032
• Monoisotopic Mass: 262.12298934
• SMILES: c1(c(n2c(n1)cccc2)F)C(=O)N[C@H]1CNCCC1
• Canonical SMILES: O=C(c1nc2n(c1F)cccc2)N[C@@H]1CCCNC1
• InChI: InChI=1S/C13H15FN4O/c14-12-11(17-10-5-1-2-7-18(10)12)13(19)16-9-4-3-6-15-8-9/h1-2,5,7,9,15H,3-4,6,8H2,(H,16,19)/t9-/m1/s1
• InChIKey: BQDWPBJULFAWRB-SECBINFHSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-fluoro-N-[(3R)-piperidin-3-yl]imidazo[1,2-a]pyridine-2-carboxamide
• IUPAC Traditional name: 3-fluoro-N-[(3R)-piperidin-3-yl]imidazo[1,2-a]pyridine-2-carboxamide
• Synonyms: 3-fluoro-N-[(3R)-piperidin-3-yl]imidazo[1,2-a]pyridine-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.696072
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.8233678
• LogD (pH = 7.4): -1.7428863
• Log P: 0.35234332
• Molar Refractivity: 69.646 cm^3
• Polarizability: 25.846571 Å^3
• Polar Surface Area: 58.43 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 0.53
• LOG S: -1.57
• Polar Surface Area: 58.43 Å^2
• Rotatable Bonds: 2