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

• ChemBase ID: 720010
• Molecular Formular: C15H19N5O
• Molecular Mass: 285.34426
• Monoisotopic Mass: 285.15896025
• SMILES: c1(nc2n(c1)CCNC2)C(=O)N(CCc1ncccc1)C
• Canonical SMILES: CN(C(=O)c1cn2c(n1)CNCC2)CCc1ccccn1
• InChI: InChI=1S/C15H19N5O/c1-19(8-5-12-4-2-3-6-17-12)15(21)13-11-20-9-7-16-10-14(20)18-13/h2-4,6,11,16H,5,7-10H2,1H3
• InChIKey: KTZTVNKTXIRWEF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.1062833
• LogD (pH = 7.4): -0.013925336
• Log P: 0.047570266
• Molar Refractivity: 79.6482 cm^3
• Polarizability: 30.448088 Å^3
• Polar Surface Area: 63.05 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: -1.14
• LOG S: -0.32
• Polar Surface Area: 63.05 Å^2
• Rotatable Bonds: 4