N-methyl-N-{[4-(1H-pyrazol-1-yl)phenyl]methyl}-5H,6H,7H,8H-imidazo[1,2-a]pyrazine-2-carboxamide

• ChemBase ID: 549392
• Molecular Formular: C18H20N6O
• Molecular Mass: 336.391
• Monoisotopic Mass: 336.16985929
• SMILES: c1(nc2n(c1)CCNC2)C(=O)N(Cc1ccc(n2nccc2)cc1)C
• Canonical SMILES: CN(C(=O)c1cn2c(n1)CNCC2)Cc1ccc(cc1)n1cccn1
• InChI: InChI=1S/C18H20N6O/c1-22(18(25)16-13-23-10-8-19-11-17(23)21-16)12-14-3-5-15(6-4-14)24-9-2-7-20-24/h2-7,9,13,19H,8,10-12H2,1H3
• InChIKey: CQDSSXOYUSANDO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-N-{[4-(1H-pyrazol-1-yl)phenyl]methyl}-5H,6H,7H,8H-imidazo[1,2-a]pyrazine-2-carboxamide
• IUPAC Traditional name: N-methyl-N-{[4-(pyrazol-1-yl)phenyl]methyl}-5H,6H,7H,8H-imidazo[1,2-a]pyrazine-2-carboxamide
• Synonyms: N-methyl-N-[4-(1H-pyrazol-1-yl)benzyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.07711553
• LogD (pH = 7.4): 0.9716999
• Log P: 1.0325766
• Molar Refractivity: 95.9896 cm^3
• Polarizability: 36.57194 Å^3
• Polar Surface Area: 67.98 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: -0.16
• LOG S: -2.83
• Polar Surface Area: 67.98 Å^2
• Rotatable Bonds: 4