N-(2-{[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}propyl)-5H,6H,7H,8H-imidazo[1,2-a]pyrazine-2-carboxamide

• ChemBase ID: 771356
• Molecular Formular: C16H21F3N6O
• Molecular Mass: 370.3727496
• Monoisotopic Mass: 370.17289398
• SMILES: c1(n(nc(c1)C)CC(CNC(=O)c1nc2n(c1)CCNC2)C)C(F)(F)F
• Canonical SMILES: CC(Cn1nc(cc1C(F)(F)F)C)CNC(=O)c1cn2c(n1)CNCC2
• InChI: InChI=1S/C16H21F3N6O/c1-10(8-25-13(16(17,18)19)5-11(2)23-25)6-21-15(26)12-9-24-4-3-20-7-14(24)22-12/h5,9-10,20H,3-4,6-8H2,1-2H3,(H,21,26)
• InChIKey: GRYZNYXIXHLIAX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.314852
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.41478434
• LogD (pH = 7.4): 0.63559943
• Log P: 0.6966929
• Molar Refractivity: 100.8355 cm^3
• Polarizability: 32.98498 Å^3
• Polar Surface Area: 76.77 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 0.84
• LOG S: -2.62
• Polar Surface Area: 76.77 Å^2
• Rotatable Bonds: 6