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

• ChemBase ID: 519429
• Molecular Formular: C20H22N6O2
• Molecular Mass: 378.42768
• Monoisotopic Mass: 378.18042397
• SMILES: c1(n2c(nc1C)CN(C(=O)c1cc(n3nccc3)ccc1)CC2)C(=O)N(C)C
• Canonical SMILES: CN(C(=O)c1c(C)nc2n1CCN(C2)C(=O)c1cccc(c1)n1cccn1)C
• InChI: InChI=1S/C20H22N6O2/c1-14-18(20(28)23(2)3)25-11-10-24(13-17(25)22-14)19(27)15-6-4-7-16(12-15)26-9-5-8-21-26/h4-9,12H,10-11,13H2,1-3H3
• InChIKey: FPJMYNSLKQOPOL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.4188319
• LogD (pH = 7.4): 0.43749762
• Log P: 0.43774113
• Molar Refractivity: 106.4544 cm^3
• Polarizability: 39.740856 Å^3
• Polar Surface Area: 76.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: -0.97
• LOG S: -2.44
• Polar Surface Area: 76.26 Å^2
• Rotatable Bonds: 3