N,N-dimethyl-1-{2-methylimidazo[1,2-a]pyridine-6-carbonyl}pyrrolidin-3-amine

• ChemBase ID: 538776
• Molecular Formular: C15H20N4O
• Molecular Mass: 272.3455
• Monoisotopic Mass: 272.16371128
• SMILES: c1(C(=O)N2CC(CC2)N(C)C)cn2c(nc(c2)C)cc1
• Canonical SMILES: CN(C1CCN(C1)C(=O)c1ccc2n(c1)cc(n2)C)C
• InChI: InChI=1S/C15H20N4O/c1-11-8-19-9-12(4-5-14(19)16-11)15(20)18-7-6-13(10-18)17(2)3/h4-5,8-9,13H,6-7,10H2,1-3H3
• InChIKey: OKOVLFYGAGJTLF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethyl-1-{2-methylimidazo[1,2-a]pyridine-6-carbonyl}pyrrolidin-3-amine
• IUPAC Traditional name: N,N-dimethyl-1-{2-methylimidazo[1,2-a]pyridine-6-carbonyl}pyrrolidin-3-amine
• Synonyms: N,N-dimethyl-1-[(2-methylimidazo[1,2-a]pyridin-6-yl)carbonyl]pyrrolidin-3-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -3.5907896
• LogD (pH = 7.4): -1.2907408
• Log P: 0.15575841
• Molar Refractivity: 79.9854 cm^3
• Polarizability: 29.732853 Å^3
• Polar Surface Area: 40.85 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: -0.27
• LOG S: -2.27
• Polar Surface Area: 40.85 Å^2
• Rotatable Bonds: 2