7-[2-(morpholin-4-yl)benzoyl]-5H,6H,7H,8H-imidazo[1,2-a]pyrazine-3-carboxamide

• ChemBase ID: 380997
• Molecular Formular: C18H21N5O3
• Molecular Mass: 355.39104
• Monoisotopic Mass: 355.16443956
• SMILES: c1(n2c(nc1)CN(C(=O)c1c(N3CCOCC3)cccc1)CC2)C(=O)N
• Canonical SMILES: O=C(c1ccccc1N1CCOCC1)N1CCn2c(C1)ncc2C(=O)N
• InChI: InChI=1S/C18H21N5O3/c19-17(24)15-11-20-16-12-22(5-6-23(15)16)18(25)13-3-1-2-4-14(13)21-7-9-26-10-8-21/h1-4,11H,5-10,12H2,(H2,19,24)
• InChIKey: WOACTBQUQLXZQV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-[2-(morpholin-4-yl)benzoyl]-5H,6H,7H,8H-imidazo[1,2-a]pyrazine-3-carboxamide
• IUPAC Traditional name: 7-[2-(morpholin-4-yl)benzoyl]-5H,6H,8H-imidazo[1,2-a]pyrazine-3-carboxamide
• Synonyms: 7-(2-morpholin-4-ylbenzoyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.8725605
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -0.36577737
• LogD (pH = 7.4): -0.3376294
• Log P: -0.33725625
• Molar Refractivity: 97.2109 cm^3
• Polarizability: 35.734135 Å^3
• Polar Surface Area: 93.69 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.38
• LOG S: -2.12
• Polar Surface Area: 93.69 Å^2
• Rotatable Bonds: 3