1-[(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]-3-{imidazo[1,2-a]pyridin-2-yl}propan-1-one

• ChemBase ID: 821623
• Molecular Formular: C19H25N3O3
• Molecular Mass: 343.4201
• Monoisotopic Mass: 343.18959168
• SMILES: C12([C@@H](C[C@@H]1OC)O)CCN(C(=O)CCc1nc3n(c1)cccc3)CC2
• Canonical SMILES: CO[C@H]1C[C@H](C21CCN(CC2)C(=O)CCc1nc2n(c1)cccc2)O
• InChI: InChI=1S/C19H25N3O3/c1-25-16-12-15(23)19(16)7-10-21(11-8-19)18(24)6-5-14-13-22-9-3-2-4-17(22)20-14/h2-4,9,13,15-16,23H,5-8,10-12H2,1H3/t15-,16+/m1/s1
• InChIKey: YUPPKRBHNNOTAM-CVEARBPZSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]-3-{imidazo[1,2-a]pyridin-2-yl}propan-1-one
• IUPAC Traditional name: 1-[(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]-3-{imidazo[1,2-a]pyridin-2-yl}propan-1-one
• Synonyms: (1R*,3S*)-7-(3-imidazo[1,2-a]pyridin-2-ylpropanoyl)-3-methoxy-7-azaspiro[3.5]nonan-1-ol

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.6818
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.8561997
• LogD (pH = 7.4): -0.1441946
• Log P: -0.11682267
• Molar Refractivity: 94.7399 cm^3
• Polarizability: 36.46094 Å^3
• Polar Surface Area: 67.07 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.86
• LOG S: -2.44
• Polar Surface Area: 67.07 Å^2
• Rotatable Bonds: 4