methyl 1-{5H,6H,7H,8H-imidazo[1,2-a]pyrazine-2-carbonyl}-3-phenylpyrrolidine-3-carboxylate

• ChemBase ID: 333252
• Molecular Formular: C19H22N4O3
• Molecular Mass: 354.40298
• Monoisotopic Mass: 354.16919058
• SMILES: c1(nc2n(c1)CCNC2)C(=O)N1CC(C(=O)OC)(CC1)c1ccccc1
• Canonical SMILES: COC(=O)C1(CCN(C1)C(=O)c1cn2c(n1)CNCC2)c1ccccc1
• InChI: InChI=1S/C19H22N4O3/c1-26-18(25)19(14-5-3-2-4-6-14)7-9-23(13-19)17(24)15-12-22-10-8-20-11-16(22)21-15/h2-6,12,20H,7-11,13H2,1H3
• InChIKey: RRLCLPXEFMRFFM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 1-{5H,6H,7H,8H-imidazo[1,2-a]pyrazine-2-carbonyl}-3-phenylpyrrolidine-3-carboxylate
• IUPAC Traditional name: methyl 1-{5H,6H,7H,8H-imidazo[1,2-a]pyrazine-2-carbonyl}-3-phenylpyrrolidine-3-carboxylate
• Synonyms: methyl 3-phenyl-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-2-ylcarbonyl)-3-pyrrolidinecarboxylate

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.2671844
• LogD (pH = 7.4): 0.7815713
• Log P: 0.84244674
• Molar Refractivity: 96.0073 cm^3
• Polarizability: 36.92356 Å^3
• Polar Surface Area: 76.46 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: -0.04
• LOG S: -3.06
• Polar Surface Area: 76.46 Å^2
• Rotatable Bonds: 4