3-[5-(1-{5H,6H,7H,8H-imidazo[1,2-a]pyrazine-2-carbonyl}pyrrolidin-2-yl)-1,2,4-oxadiazol-3-yl]pyridine

• ChemBase ID: 405444
• Molecular Formular: C18H19N7O2
• Molecular Mass: 365.38916
• Monoisotopic Mass: 365.16002288
• SMILES: c1(nc2n(c1)CCNC2)C(=O)N1C(c2nc(no2)c2cnccc2)CCC1
• Canonical SMILES: O=C(N1CCCC1c1onc(n1)c1cccnc1)c1cn2c(n1)CNCC2
• InChI: InChI=1S/C18H19N7O2/c26-18(13-11-24-8-6-20-10-15(24)21-13)25-7-2-4-14(25)17-22-16(23-27-17)12-3-1-5-19-9-12/h1,3,5,9,11,14,20H,2,4,6-8,10H2
• InChIKey: LPWZSCVHZWQFGN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[5-(1-{5H,6H,7H,8H-imidazo[1,2-a]pyrazine-2-carbonyl}pyrrolidin-2-yl)-1,2,4-oxadiazol-3-yl]pyridine
• IUPAC Traditional name: 3-[5-(1-{5H,6H,7H,8H-imidazo[1,2-a]pyrazine-2-carbonyl}pyrrolidin-2-yl)-1,2,4-oxadiazol-3-yl]pyridine
• Synonyms: 2-({2-[3-(3-pyridinyl)-1,2,4-oxadiazol-5-yl]-1-pyrrolidinyl}carbonyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): -0.52585405
• LogD (pH = 7.4): 0.52885085
• Log P: 0.5897262
• Molar Refractivity: 108.1115 cm^3
• Polarizability: 36.993263 Å^3
• Polar Surface Area: 101.97 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 1
• Log P: -0.84
• LOG S: -2.46
• Polar Surface Area: 101.97 Å^2
• Rotatable Bonds: 3