N-[2-(4-ethyl-3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-5H,6H,7H,8H-imidazo[1,2-a]pyrazine-2-carboxamide

• ChemBase ID: 325526
• Molecular Formular: C16H24N6O
• Molecular Mass: 316.40136
• Monoisotopic Mass: 316.20115942
• SMILES: c1(nc2n(c1)CCNC2)C(=O)NCCn1nc(c(c1C)CC)C
• Canonical SMILES: CCc1c(C)nn(c1C)CCNC(=O)c1cn2c(n1)CNCC2
• InChI: InChI=1S/C16H24N6O/c1-4-13-11(2)20-22(12(13)3)8-6-18-16(23)14-10-21-7-5-17-9-15(21)19-14/h10,17H,4-9H2,1-3H3,(H,18,23)
• InChIKey: WISPYPSXUPGWHF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(4-ethyl-3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-5H,6H,7H,8H-imidazo[1,2-a]pyrazine-2-carboxamide
• IUPAC Traditional name: N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-5H,6H,7H,8H-imidazo[1,2-a]pyrazine-2-carboxamide
• Synonyms: N-[2-(4-ethyl-3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.296643
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.59648293
• LogD (pH = 7.4): 0.45599946
• Log P: 0.51711136
• Molar Refractivity: 100.4944 cm^3
• Polarizability: 33.45616 Å^3
• Polar Surface Area: 76.77 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 0.76
• LOG S: -2.16
• Polar Surface Area: 76.77 Å^2
• Rotatable Bonds: 5