N-[(1R,3R)-3-aminocyclopentyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide

• ChemBase ID: 836895
• Molecular Formular: C15H20N4O
• Molecular Mass: 272.3455
• Monoisotopic Mass: 272.16371128
• SMILES: c1(n2c(nc1C)cc(cc2)C)C(=O)N[C@H]1C[C@H](N)CC1
• Canonical SMILES: N[C@@H]1CC[C@H](C1)NC(=O)c1c(C)nc2n1ccc(c2)C
• InChI: InChI=1S/C15H20N4O/c1-9-5-6-19-13(7-9)17-10(2)14(19)15(20)18-12-4-3-11(16)8-12/h5-7,11-12H,3-4,8,16H2,1-2H3,(H,18,20)/t11-,12-/m1/s1
• InChIKey: PROOOUVZPUMOEU-VXGBXAGGSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(1R,3R)-3-aminocyclopentyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide
• IUPAC Traditional name: N-[(1R,3R)-3-aminocyclopentyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide
• Synonyms: N-[(1R*,3R*)-3-aminocyclopentyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.148867
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.9049263
• LogD (pH = 7.4): -2.2836785
• Log P: 0.186966
• Molar Refractivity: 79.1183 cm^3
• Polarizability: 29.661818 Å^3
• Polar Surface Area: 72.42 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: 1.13
• LOG S: -2.15
• Polar Surface Area: 72.42 Å^2
• Rotatable Bonds: 2