N-{2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethyl}-5H,6H,7H,8H-imidazo[1,2-a]pyrazine-2-carboxamide

• ChemBase ID: 344036
• Molecular Formular: C20H27N5O
• Molecular Mass: 353.46128
• Monoisotopic Mass: 353.22156051
• SMILES: c1(nc2n(c1)CCNC2)C(=O)NCCN1CC(c2c(C)cccc2)CC1
• Canonical SMILES: O=C(c1cn2c(n1)CNCC2)NCCN1CCC(C1)c1ccccc1C
• InChI: InChI=1S/C20H27N5O/c1-15-4-2-3-5-17(15)16-6-9-24(13-16)10-8-22-20(26)18-14-25-11-7-21-12-19(25)23-18/h2-5,14,16,21H,6-13H2,1H3,(H,22,26)
• InChIKey: ZIXYARBJKLIMGT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethyl}-5H,6H,7H,8H-imidazo[1,2-a]pyrazine-2-carboxamide
• IUPAC Traditional name: N-{2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethyl}-5H,6H,7H,8H-imidazo[1,2-a]pyrazine-2-carboxamide
• Synonyms: N-{2-[3-(2-methylphenyl)-1-pyrrolidinyl]ethyl}-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.301721
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -2.4418173
• LogD (pH = 7.4): 0.36804566
• Log P: 1.4352491
• Molar Refractivity: 103.2865 cm^3
• Polarizability: 39.35012 Å^3
• Polar Surface Area: 62.19 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 0.7
• LOG S: -2.38
• Polar Surface Area: 62.19 Å^2
• Rotatable Bonds: 5