N-[(1R,3R)-3-aminocyclopentyl]-2-phenylimidazo[1,2-a]pyridine-6-carboxamide

• ChemBase ID: 313861
• Molecular Formular: C19H20N4O
• Molecular Mass: 320.3883
• Monoisotopic Mass: 320.16371128
• SMILES: n12c(nc(c2)c2ccccc2)ccc(c1)C(=O)N[C@H]1C[C@H](N)CC1
• Canonical SMILES: N[C@@H]1CC[C@H](C1)NC(=O)c1ccc2n(c1)cc(n2)c1ccccc1
• InChI: InChI=1S/C19H20N4O/c20-15-7-8-16(10-15)21-19(24)14-6-9-18-22-17(12-23(18)11-14)13-4-2-1-3-5-13/h1-6,9,11-12,15-16H,7-8,10,20H2,(H,21,24)/t15-,16-/m1/s1
• InChIKey: VJZBUGRXOMKVNB-HZPDHXFCSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(1R,3R)-3-aminocyclopentyl]-2-phenylimidazo[1,2-a]pyridine-6-carboxamide
• IUPAC Traditional name: N-[(1R,3R)-3-aminocyclopentyl]-2-phenylimidazo[1,2-a]pyridine-6-carboxamide
• Synonyms: N-[(1R*,3R*)-3-aminocyclopentyl]-2-phenylimidazo[1,2-a]pyridine-6-carboxamide

CALCULATED PROPERTIES

JChem

• LogD (pH = 7.4): -0.81744117
• Log P: 1.655249
• Molar Refractivity: 94.3723 cm^3
• Polarizability: 37.098885 Å^3
• Polar Surface Area: 72.42 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• Acid pKa: 14.342756
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.5542849

供应商提供(Chembridge)

• Log P: 1.66
• LOG S: -2.95
• Polar Surface Area: 72.42 Å^2
• Rotatable Bonds: 3
• H Acceptors: 3
• H Donor: 2