7-[3-(1H-1,3-benzodiazol-2-yl)propanoyl]-5H,6H,7H,8H-imidazo[1,2-a]pyrazine-3-carboxamide

• ChemBase ID: 636086
• Molecular Formular: C17H18N6O2
• Molecular Mass: 338.36382
• Monoisotopic Mass: 338.14912385
• SMILES: c1(n2c(nc1)CN(C(=O)CCc1nc3c([nH]1)cccc3)CC2)C(=O)N
• Canonical SMILES: O=C(N1CCn2c(C1)ncc2C(=O)N)CCc1nc2c([nH]1)cccc2
• InChI: InChI=1S/C17H18N6O2/c18-17(25)13-9-19-15-10-22(7-8-23(13)15)16(24)6-5-14-20-11-3-1-2-4-12(11)21-14/h1-4,9H,5-8,10H2,(H2,18,25)(H,20,21)
• InChIKey: BHKIADAAIFCROW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-[3-(1H-1,3-benzodiazol-2-yl)propanoyl]-5H,6H,7H,8H-imidazo[1,2-a]pyrazine-3-carboxamide
• IUPAC Traditional name: 7-[3-(1H-1,3-benzodiazol-2-yl)propanoyl]-5H,6H,8H-imidazo[1,2-a]pyrazine-3-carboxamide
• Synonyms: 7-[3-(1H-benzimidazol-2-yl)propanoyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.820389
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.9124291
• LogD (pH = 7.4): -0.65457183
• Log P: -0.6501969
• Molar Refractivity: 90.6961 cm^3
• Polarizability: 35.42727 Å^3
• Polar Surface Area: 109.9 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: -0.69
• LOG S: -2.39
• Polar Surface Area: 109.9 Å^2
• Rotatable Bonds: 4