1-{5H,6H,7H,8H-imidazo[1,2-a]pyrazine-2-carbonyl}-2-(3-methoxyphenyl)pyrrolidine

• ChemBase ID: 846446
• Molecular Formular: C18H22N4O2
• Molecular Mass: 326.39288
• Monoisotopic Mass: 326.17427596
• SMILES: c1(nc2n(c1)CCNC2)C(=O)N1C(c2cc(OC)ccc2)CCC1
• Canonical SMILES: COc1cccc(c1)C1CCCN1C(=O)c1cn2c(n1)CNCC2
• InChI: InChI=1S/C18H22N4O2/c1-24-14-5-2-4-13(10-14)16-6-3-8-22(16)18(23)15-12-21-9-7-19-11-17(21)20-15/h2,4-5,10,12,16,19H,3,6-9,11H2,1H3
• InChIKey: LWTRYJHFJZEQBR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{5H,6H,7H,8H-imidazo[1,2-a]pyrazine-2-carbonyl}-2-(3-methoxyphenyl)pyrrolidine
• IUPAC Traditional name: 1-{5H,6H,7H,8H-imidazo[1,2-a]pyrazine-2-carbonyl}-2-(3-methoxyphenyl)pyrrolidine
• Synonyms: 2-{[2-(3-methoxyphenyl)-1-pyrrolidinyl]carbonyl}-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.14541373
• LogD (pH = 7.4): 1.1938322
• Log P: 1.2546513
• Molar Refractivity: 91.3023 cm^3
• Polarizability: 34.974064 Å^3
• Polar Surface Area: 59.39 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.09
• LOG S: -2.97
• Polar Surface Area: 59.39 Å^2
• Rotatable Bonds: 3