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

• ChemBase ID: 443474
• Molecular Formular: C15H19N5O
• Molecular Mass: 285.34426
• Monoisotopic Mass: 285.15896025
• SMILES: c1(nc2n(c1)CCNC2)C(=O)N[C@H](c1ncccc1C)C
• Canonical SMILES: O=C(c1cn2c(n1)CNCC2)N[C@H](c1ncccc1C)C
• InChI: InChI=1S/C15H19N5O/c1-10-4-3-5-17-14(10)11(2)18-15(21)12-9-20-7-6-16-8-13(20)19-12/h3-5,9,11,16H,6-8H2,1-2H3,(H,18,21)/t11-/m0/s1
• InChIKey: WHBDUBUYXXOVGI-NSHDSACASA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.280428
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.48949224
• LogD (pH = 7.4): 0.6074074
• Log P: 0.6690671
• Molar Refractivity: 79.5872 cm^3
• Polarizability: 30.37099 Å^3
• Polar Surface Area: 71.84 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: -0.01
• LOG S: -1.28
• Polar Surface Area: 71.84 Å^2
• Rotatable Bonds: 3