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

• ChemBase ID: 788751
• Molecular Formular: C16H21N3O2
• Molecular Mass: 287.35684
• Monoisotopic Mass: 287.16337693
• SMILES: c1(C(=O)N2CC(CC2)COCCC)cn2c(ncc2)cc1
• Canonical SMILES: CCCOCC1CCN(C1)C(=O)c1ccc2n(c1)ccn2
• InChI: InChI=1S/C16H21N3O2/c1-2-9-21-12-13-5-7-19(10-13)16(20)14-3-4-15-17-6-8-18(15)11-14/h3-4,6,8,11,13H,2,5,7,9-10,12H2,1H3
• InChIKey: MBUZVNMXGXNAMF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.32790163
• LogD (pH = 7.4): 0.93119764
• Log P: 0.9556471
• Molar Refractivity: 82.6745 cm^3
• Polarizability: 30.822348 Å^3
• Polar Surface Area: 46.84 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 0.54
• LOG S: -1.76
• Polar Surface Area: 46.84 Å^2
• Rotatable Bonds: 5