[(2R)-1-{2-methylimidazo[1,2-a]pyridine-6-carbonyl}pyrrolidin-2-yl]methanol

• ChemBase ID: 468133
• Molecular Formular: C14H17N3O2
• Molecular Mass: 259.30368
• Monoisotopic Mass: 259.1320768
• SMILES: c1(C(=O)N2[C@@H](CO)CCC2)cn2c(nc(c2)C)cc1
• Canonical SMILES: OC[C@H]1CCCN1C(=O)c1ccc2n(c1)cc(n2)C
• InChI: InChI=1S/C14H17N3O2/c1-10-7-16-8-11(4-5-13(16)15-10)14(19)17-6-2-3-12(17)9-18/h4-5,7-8,12,18H,2-3,6,9H2,1H3/t12-/m1/s1
• InChIKey: OHXOPJIREAHPRH-GFCCVEGCSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(2R)-1-{2-methylimidazo[1,2-a]pyridine-6-carbonyl}pyrrolidin-2-yl]methanol
• IUPAC Traditional name: [(2R)-1-{2-methylimidazo[1,2-a]pyridine-6-carbonyl}pyrrolidin-2-yl]methanol
• Synonyms: {(2R)-1-[(2-methylimidazo[1,2-a]pyridin-6-yl)carbonyl]pyrrolidin-2-yl}methanol

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.093877
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.684804
• LogD (pH = 7.4): -0.056173995
• Log P: -0.035625458
• Molar Refractivity: 72.9032 cm^3
• Polarizability: 27.002867 Å^3
• Polar Surface Area: 57.84 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: -0.52
• LOG S: -1.96
• Polar Surface Area: 57.84 Å^2
• Rotatable Bonds: 2