3-{imidazo[1,2-a]pyridin-2-yl}-1-[2-(pyridin-2-yl)pyrrolidin-1-yl]propan-1-one

• ChemBase ID: 436143
• Molecular Formular: C19H20N4O
• Molecular Mass: 320.3883
• Monoisotopic Mass: 320.16371128
• SMILES: N1(C(=O)CCc2nc3n(c2)cccc3)C(c2ncccc2)CCC1
• Canonical SMILES: O=C(N1CCCC1c1ccccn1)CCc1nc2n(c1)cccc2
• InChI: InChI=1S/C19H20N4O/c24-19(10-9-15-14-22-12-4-2-8-18(22)21-15)23-13-5-7-17(23)16-6-1-3-11-20-16/h1-4,6,8,11-12,14,17H,5,7,9-10,13H2
• InChIKey: LRSWPDTYVNVIED-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-{imidazo[1,2-a]pyridin-2-yl}-1-[2-(pyridin-2-yl)pyrrolidin-1-yl]propan-1-one
• IUPAC Traditional name: 3-{imidazo[1,2-a]pyridin-2-yl}-1-[2-(pyridin-2-yl)pyrrolidin-1-yl]propan-1-one
• Synonyms: 2-{3-oxo-3-[2-(2-pyridinyl)-1-pyrrolidinyl]propyl}imidazo[1,2-a]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.80856836
• LogD (pH = 7.4): 1.5346634
• Log P: 1.5622182
• Molar Refractivity: 92.2566 cm^3
• Polarizability: 35.346466 Å^3
• Polar Surface Area: 50.5 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.6
• LOG S: -1.6
• Polar Surface Area: 50.5 Å^2
• Rotatable Bonds: 4