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

• ChemBase ID: 342703
• Molecular Formular: C16H21N3O2
• Molecular Mass: 287.35684
• Monoisotopic Mass: 287.16337693
• SMILES: n12c(nc(c1)CCC(=O)N1[C@@H](COC)CCC1)cccc2
• Canonical SMILES: COC[C@H]1CCCN1C(=O)CCc1nc2n(c1)cccc2
• InChI: InChI=1S/C16H21N3O2/c1-21-12-14-5-4-10-19(14)16(20)8-7-13-11-18-9-3-2-6-15(18)17-13/h2-3,6,9,11,14H,4-5,7-8,10,12H2,1H3/t14-/m1/s1
• InChIKey: UJZYDFCOJLGXAX-CQSZACIVSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-{imidazo[1,2-a]pyridin-2-yl}-1-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]propan-1-one
• IUPAC Traditional name: 3-{imidazo[1,2-a]pyridin-2-yl}-1-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]propan-1-one
• Synonyms: 2-{3-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-3-oxopropyl}imidazo[1,2-a]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.035403885
• LogD (pH = 7.4): 0.747409
• Log P: 0.77478087
• Molar Refractivity: 81.2915 cm^3
• Polarizability: 31.033394 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: 1.12
• LOG S: -2.25
• Polar Surface Area: 46.84 Å^2
• Rotatable Bonds: 5