7-[(2R)-oxolane-2-carbonyl]-5H,6H,7H,8H-imidazo[1,2-a]pyrazine-3-carboxamide

• ChemBase ID: 667222
• Molecular Formular: C12H16N4O3
• Molecular Mass: 264.28044
• Monoisotopic Mass: 264.12224039
• SMILES: c1(n2c(nc1)CN(C(=O)[C@@H]1OCCC1)CC2)C(=O)N
• Canonical SMILES: O=C(N1CCn2c(C1)ncc2C(=O)N)[C@H]1CCCO1
• InChI: InChI=1S/C12H16N4O3/c13-11(17)8-6-14-10-7-15(3-4-16(8)10)12(18)9-2-1-5-19-9/h6,9H,1-5,7H2,(H2,13,17)/t9-/m1/s1
• InChIKey: BOTOXIABGJRUFR-SECBINFHSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-[(2R)-oxolane-2-carbonyl]-5H,6H,7H,8H-imidazo[1,2-a]pyrazine-3-carboxamide
• IUPAC Traditional name: 7-[(2R)-oxolane-2-carbonyl]-5H,6H,8H-imidazo[1,2-a]pyrazine-3-carboxamide
• Synonyms: 7-[(2R)-tetrahydrofuran-2-ylcarbonyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.872582
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.6658772
• LogD (pH = 7.4): -1.6377152
• Log P: -1.6373419
• Molar Refractivity: 66.777 cm^3
• Polarizability: 25.27575 Å^3
• Polar Surface Area: 90.45 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: -1.07
• LOG S: -1.53
• Polar Surface Area: 90.45 Å^2
• Rotatable Bonds: 2