N-[(1R,3R)-3-aminocyclopentyl]-2-{8-methylimidazo[1,2-a]pyridin-3-yl}acetamide

• ChemBase ID: 347278
• Molecular Formular: C15H20N4O
• Molecular Mass: 272.3455
• Monoisotopic Mass: 272.16371128
• SMILES: c12n(c(cn1)CC(=O)N[C@H]1C[C@H](N)CC1)cccc2C
• Canonical SMILES: N[C@@H]1CC[C@H](C1)NC(=O)Cc1cnc2n1cccc2C
• InChI: InChI=1S/C15H20N4O/c1-10-3-2-6-19-13(9-17-15(10)19)8-14(20)18-12-5-4-11(16)7-12/h2-3,6,9,11-12H,4-5,7-8,16H2,1H3,(H,18,20)/t11-,12-/m1/s1
• InChIKey: OCYRHKVTDIGEOM-VXGBXAGGSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(1R,3R)-3-aminocyclopentyl]-2-{8-methylimidazo[1,2-a]pyridin-3-yl}acetamide
• IUPAC Traditional name: N-[(1R,3R)-3-aminocyclopentyl]-2-{8-methylimidazo[1,2-a]pyridin-3-yl}acetamide
• Synonyms: N-[(1R*,3R*)-3-aminocyclopentyl]-2-(8-methylimidazo[1,2-a]pyridin-3-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.56761
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -3.7773242
• LogD (pH = 7.4): -2.4851859
• Log P: 0.035761215
• Molar Refractivity: 78.5782 cm^3
• Polarizability: 29.943096 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: -0.07
• LOG S: -2.44
• Polar Surface Area: 72.42 Å^2
• Rotatable Bonds: 3