N-{[4-(3-fluorophenyl)oxan-4-yl]methyl}-5H,6H,7H,8H-imidazo[1,2-a]pyrazine-2-carboxamide

• ChemBase ID: 337414
• Molecular Formular: C19H23FN4O2
• Molecular Mass: 358.4099232
• Monoisotopic Mass: 358.18050422
• SMILES: c1(nc2n(c1)CCNC2)C(=O)NCC1(c2cc(F)ccc2)CCOCC1
• Canonical SMILES: Fc1cccc(c1)C1(CCOCC1)CNC(=O)c1cn2c(n1)CNCC2
• InChI: InChI=1S/C19H23FN4O2/c20-15-3-1-2-14(10-15)19(4-8-26-9-5-19)13-22-18(25)16-12-24-7-6-21-11-17(24)23-16/h1-3,10,12,21H,4-9,11,13H2,(H,22,25)
• InChIKey: XUQZBSBDXHKQES-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[4-(3-fluorophenyl)oxan-4-yl]methyl}-5H,6H,7H,8H-imidazo[1,2-a]pyrazine-2-carboxamide
• IUPAC Traditional name: N-{[4-(3-fluorophenyl)oxan-4-yl]methyl}-5H,6H,7H,8H-imidazo[1,2-a]pyrazine-2-carboxamide
• Synonyms: N-{[4-(3-fluorophenyl)tetrahydro-2H-pyran-4-yl]methyl}-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.307052
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.036194656
• LogD (pH = 7.4): 1.0138174
• Log P: 1.0749025
• Molar Refractivity: 96.1216 cm^3
• Polarizability: 36.526173 Å^3
• Polar Surface Area: 68.18 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: 0.82
• LOG S: -2.51
• Polar Surface Area: 68.18 Å^2
• Rotatable Bonds: 4