N-{[4-(pyrrolidine-1-carbonyl)phenyl]methyl}-5H,6H,7H,8H-imidazo[1,2-a]pyrazine-2-carboxamide

• ChemBase ID: 716080
• Molecular Formular: C19H23N5O2
• Molecular Mass: 353.41822
• Monoisotopic Mass: 353.185175
• SMILES: c1(nc2n(c1)CCNC2)C(=O)NCc1ccc(C(=O)N2CCCC2)cc1
• Canonical SMILES: O=C(c1cn2c(n1)CNCC2)NCc1ccc(cc1)C(=O)N1CCCC1
• InChI: InChI=1S/C19H23N5O2/c25-18(16-13-24-10-7-20-12-17(24)22-16)21-11-14-3-5-15(6-4-14)19(26)23-8-1-2-9-23/h3-6,13,20H,1-2,7-12H2,(H,21,25)
• InChIKey: JMFFBERXUNXSRT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[4-(pyrrolidine-1-carbonyl)phenyl]methyl}-5H,6H,7H,8H-imidazo[1,2-a]pyrazine-2-carboxamide
• IUPAC Traditional name: N-{[4-(pyrrolidine-1-carbonyl)phenyl]methyl}-5H,6H,7H,8H-imidazo[1,2-a]pyrazine-2-carboxamide
• Synonyms: N-[4-(1-pyrrolidinylcarbonyl)benzyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.257638
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.6840056
• LogD (pH = 7.4): 0.36581823
• Log P: 0.4268719
• Molar Refractivity: 99.144 cm^3
• Polarizability: 37.14165 Å^3
• Polar Surface Area: 79.26 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: -0.67
• LOG S: -2.52
• Polar Surface Area: 79.26 Å^2
• Rotatable Bonds: 4