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

• ChemBase ID: 699306
• Molecular Formular: C15H22N6O
• Molecular Mass: 302.37478
• Monoisotopic Mass: 302.18550935
• SMILES: c1(nc2n(c1)CCNC2)C(=O)N(CCc1c([nH]nc1C)C)C
• Canonical SMILES: O=C(c1nc2n(c1)CCNC2)N(CCc1c(C)n[nH]c1C)C
• InChI: InChI=1S/C15H22N6O/c1-10-12(11(2)19-18-10)4-6-20(3)15(22)13-9-21-7-5-16-8-14(21)17-13/h9,16H,4-8H2,1-3H3,(H,18,19)
• InChIKey: FTOKVBLASPOZND-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.186694
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -1.242742
• LogD (pH = 7.4): -0.19041963
• Log P: -0.12946525
• Molar Refractivity: 85.8115 cm^3
• Polarizability: 31.695381 Å^3
• Polar Surface Area: 78.84 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: -0.62
• LOG S: -2.19
• Polar Surface Area: 78.84 Å^2
• Rotatable Bonds: 4