3-fluoro-N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}pyridine-4-carboxamide

• ChemBase ID: 836131
• Molecular Formular: C13H13FN4O
• Molecular Mass: 260.2669232
• Monoisotopic Mass: 260.10733928
• SMILES: c1(n2c(nc1)CCCC2)NC(=O)c1c(F)cncc1
• Canonical SMILES: O=C(c1ccncc1F)Nc1cnc2n1CCCC2
• InChI: InChI=1S/C13H13FN4O/c14-10-7-15-5-4-9(10)13(19)17-12-8-16-11-3-1-2-6-18(11)12/h4-5,7-8H,1-3,6H2,(H,17,19)
• InChIKey: QQHOWPBQIQRTCO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-fluoro-N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}pyridine-4-carboxamide
• IUPAC Traditional name: 3-fluoro-N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}pyridine-4-carboxamide
• Synonyms: 3-fluoro-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)isonicotinamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.741855
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.31550035
• LogD (pH = 7.4): 0.95059156
• Log P: 0.9792935
• Molar Refractivity: 68.6928 cm^3
• Polarizability: 25.070988 Å^3
• Polar Surface Area: 59.81 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 0.17
• LOG S: -2.55
• Polar Surface Area: 59.81 Å^2
• Rotatable Bonds: 2