4-{5H,6H,7H,8H-imidazo[1,5-a]pyrazine-7-carbonyl}-2-methoxypyridine

• ChemBase ID: 565325
• Molecular Formular: C13H14N4O2
• Molecular Mass: 258.27586
• Monoisotopic Mass: 258.11167571
• SMILES: N1(C(=O)c2cc(ncc2)OC)Cc2n(cnc2)CC1
• Canonical SMILES: COc1nccc(c1)C(=O)N1CCn2c(C1)cnc2
• InChI: InChI=1S/C13H14N4O2/c1-19-12-6-10(2-3-15-12)13(18)16-4-5-17-9-14-7-11(17)8-16/h2-3,6-7,9H,4-5,8H2,1H3
• InChIKey: LFTJGAMKOGCGIX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{5H,6H,7H,8H-imidazo[1,5-a]pyrazine-7-carbonyl}-2-methoxypyridine
• IUPAC Traditional name: 4-{5H,6H,8H-imidazo[1,5-a]pyrazine-7-carbonyl}-2-methoxypyridine
• Synonyms: 7-(2-methoxyisonicotinoyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.40461963
• LogD (pH = 7.4): 0.03669952
• Log P: 0.06850742
• Molar Refractivity: 69.9222 cm^3
• Polarizability: 26.023252 Å^3
• Polar Surface Area: 60.25 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: -0.42
• LOG S: -2.04
• Polar Surface Area: 60.25 Å^2
• Rotatable Bonds: 2