7-{3-[(4-fluorophenyl)formamido]propanoyl}-5H,6H,7H,8H-imidazo[1,2-a]pyrazine-3-carboxamide

• ChemBase ID: 404075
• Molecular Formular: C17H18FN5O3
• Molecular Mass: 359.3549232
• Monoisotopic Mass: 359.13936768
• SMILES: c1(n2c(nc1)CN(C(=O)CCNC(=O)c1ccc(cc1)F)CC2)C(=O)N
• Canonical SMILES: Fc1ccc(cc1)C(=O)NCCC(=O)N1CCn2c(C1)ncc2C(=O)N
• InChI: InChI=1S/C17H18FN5O3/c18-12-3-1-11(2-4-12)17(26)20-6-5-15(24)22-7-8-23-13(16(19)25)9-21-14(23)10-22/h1-4,9H,5-8,10H2,(H2,19,25)(H,20,26)
• InChIKey: AAHAEONLWHUVIW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-{3-[(4-fluorophenyl)formamido]propanoyl}-5H,6H,7H,8H-imidazo[1,2-a]pyrazine-3-carboxamide
• IUPAC Traditional name: 7-{3-[(4-fluorophenyl)formamido]propanoyl}-5H,6H,8H-imidazo[1,2-a]pyrazine-3-carboxamide
• Synonyms: 7-{3-[(4-fluorobenzoyl)amino]propanoyl}-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.819736
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.980906
• LogD (pH = 7.4): -0.9527416
• Log P: -0.95236826
• Molar Refractivity: 91.4271 cm^3
• Polarizability: 33.760242 Å^3
• Polar Surface Area: 110.32 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: -0.06
• LOG S: -3.08
• Polar Surface Area: 110.32 Å^2
• Rotatable Bonds: 5