N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]imidazo[1,2-a]pyridine-6-carboxamide

• ChemBase ID: 548872
• Molecular Formular: C17H15N3O2
• Molecular Mass: 293.3199
• Monoisotopic Mass: 293.11642674
• SMILES: c1(C(=O)N[C@@H]2c3c(C[C@@H]2O)cccc3)cn2c(ncc2)cc1
• Canonical SMILES: O[C@H]1Cc2c([C@H]1NC(=O)c1ccc3n(c1)ccn3)cccc2
• InChI: InChI=1S/C17H15N3O2/c21-14-9-11-3-1-2-4-13(11)16(14)19-17(22)12-5-6-15-18-7-8-20(15)10-12/h1-8,10,14,16,21H,9H2,(H,19,22)/t14-,16+/m0/s1
• InChIKey: WZULLJPAHXXBGM-GOEBONIOSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]imidazo[1,2-a]pyridine-6-carboxamide
• IUPAC Traditional name: N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]imidazo[1,2-a]pyridine-6-carboxamide
• Synonyms: N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]imidazo[1,2-a]pyridine-6-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.0325775
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.39715475
• LogD (pH = 7.4): 1.0029279
• Log P: 1.0276595
• Molar Refractivity: 83.4664 cm^3
• Polarizability: 31.125778 Å^3
• Polar Surface Area: 66.63 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 1.08
• LOG S: -2.26
• Polar Surface Area: 66.63 Å^2
• Rotatable Bonds: 2