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

• ChemBase ID: 595774
• Molecular Formular: C23H19N3O2
• Molecular Mass: 369.41586
• Monoisotopic Mass: 369.14772686
• SMILES: n12c(nc(c2)c2ccccc2)ccc(c1)C(=O)N[C@@H]1c2c(C[C@@H]1O)cccc2
• Canonical SMILES: O=C(c1ccc2n(c1)cc(n2)c1ccccc1)N[C@H]1[C@@H](O)Cc2c1cccc2
• InChI: InChI=1S/C23H19N3O2/c27-20-12-16-8-4-5-9-18(16)22(20)25-23(28)17-10-11-21-24-19(14-26(21)13-17)15-6-2-1-3-7-15/h1-11,13-14,20,22,27H,12H2,(H,25,28)/t20-,22+/m0/s1
• InChIKey: KXJJHHIRYWZOPU-RBBKRZOGSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.013778
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.8709137
• LogD (pH = 7.4): 3.0576997
• Log P: 3.0607352
• Molar Refractivity: 108.2306 cm^3
• Polarizability: 42.09431 Å^3
• Polar Surface Area: 66.63 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 2.9
• LOG S: -4.37
• Polar Surface Area: 66.63 Å^2
• Rotatable Bonds: 3