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

• ChemBase ID: 519792
• Molecular Formular: C16H16N6O2
• Molecular Mass: 324.33724
• Monoisotopic Mass: 324.13347378
• SMILES: c1(n2c(nc1)CN(C(=O)Cc1n[nH]c3c1cccc3)CC2)C(=O)N
• Canonical SMILES: O=C(N1CCn2c(C1)ncc2C(=O)N)Cc1n[nH]c2c1cccc2
• InChI: InChI=1S/C16H16N6O2/c17-16(24)13-8-18-14-9-21(5-6-22(13)14)15(23)7-12-10-3-1-2-4-11(10)19-20-12/h1-4,8H,5-7,9H2,(H2,17,24)(H,19,20)
• InChIKey: MUQGLVZTUSMKGU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.70929
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.5662672
• LogD (pH = 7.4): -0.53811616
• Log P: -0.5377221
• Molar Refractivity: 87.4023 cm^3
• Polarizability: 33.584293 Å^3
• Polar Surface Area: 109.9 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 0.94
• LOG S: -2.37
• Polar Surface Area: 109.9 Å^2
• Rotatable Bonds: 3