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

• ChemBase ID: 582682
• Molecular Formular: C23H20N4O
• Molecular Mass: 368.4311
• Monoisotopic Mass: 368.16371128
• SMILES: n12c(nc(c2)c2ccccc2)ccc(c1)C(=O)N[C@@H]1[C@H](c2c(C1)cccc2)N
• Canonical SMILES: O=C(c1ccc2n(c1)cc(n2)c1ccccc1)N[C@H]1Cc2c([C@@H]1N)cccc2
• InChI: InChI=1S/C23H20N4O/c24-22-18-9-5-4-8-16(18)12-19(22)26-23(28)17-10-11-21-25-20(14-27(21)13-17)15-6-2-1-3-7-15/h1-11,13-14,19,22H,12,24H2,(H,26,28)/t19-,22-/m0/s1
• InChIKey: YAXLUEXAHSMTNV-UGKGYDQZSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.3126745
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.053304497
• LogD (pH = 7.4): 1.6167825
• Log P: 2.9538534
• Molar Refractivity: 109.8881 cm^3
• Polarizability: 43.02962 Å^3
• Polar Surface Area: 72.42 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: 2.92
• LOG S: -4.38
• Polar Surface Area: 72.42 Å^2
• Rotatable Bonds: 3