3-(1-{imidazo[1,2-a]pyridine-6-carbonyl}pyrrolidin-2-yl)pyridine

• ChemBase ID: 353096
• Molecular Formular: C17H16N4O
• Molecular Mass: 292.33514
• Monoisotopic Mass: 292.13241115
• SMILES: c1(C(=O)N2C(c3cnccc3)CCC2)cn2c(ncc2)cc1
• Canonical SMILES: O=C(N1CCCC1c1cccnc1)c1ccc2n(c1)ccn2
• InChI: InChI=1S/C17H16N4O/c22-17(14-5-6-16-19-8-10-20(16)12-14)21-9-2-4-15(21)13-3-1-7-18-11-13/h1,3,5-8,10-12,15H,2,4,9H2
• InChIKey: CZZPOLWLKVKJQH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(1-{imidazo[1,2-a]pyridine-6-carbonyl}pyrrolidin-2-yl)pyridine
• IUPAC Traditional name: 3-(1-{imidazo[1,2-a]pyridine-6-carbonyl}pyrrolidin-2-yl)pyridine
• Synonyms: 6-[(2-pyridin-3-ylpyrrolidin-1-yl)carbonyl]imidazo[1,2-a]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.33528534
• LogD (pH = 7.4): 1.0046777
• Log P: 1.0299071
• Molar Refractivity: 84.4751 cm^3
• Polarizability: 31.448843 Å^3
• Polar Surface Area: 50.5 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 0.13
• LOG S: -1.45
• Polar Surface Area: 50.5 Å^2
• Rotatable Bonds: 2