(1S,2R)-N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide

• ChemBase ID: 402889
• Molecular Formular: C19H28N4O2
• Molecular Mass: 344.45122
• Monoisotopic Mass: 344.22122616
• SMILES: c1(n2c(nc1)CCCC2)NC(=O)[C@@H]1[C@H](C(=O)N2CCCC2)CCCC1
• Canonical SMILES: O=C([C@H]1CCCC[C@H]1C(=O)N1CCCC1)Nc1cnc2n1CCCC2
• InChI: InChI=1S/C19H28N4O2/c24-18(21-17-13-20-16-9-3-4-12-23(16)17)14-7-1-2-8-15(14)19(25)22-10-5-6-11-22/h13-15H,1-12H2,(H,21,24)/t14-,15+/m0/s1
• InChIKey: LIQIPAPWZFEXMA-LSDHHAIUSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1S,2R)-N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
• IUPAC Traditional name: (1S,2R)-N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
• Synonyms: (1S*,2R*)-2-(pyrrolidin-1-ylcarbonyl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)cyclohexanecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.720937
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.90282506
• LogD (pH = 7.4): 1.5521079
• Log P: 1.5825433
• Molar Refractivity: 96.5615 cm^3
• Polarizability: 36.68948 Å^3
• Polar Surface Area: 67.23 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.65
• LOG S: -3.12
• Polar Surface Area: 67.23 Å^2
• Rotatable Bonds: 3