N-methyl-N-[1-(pyridin-3-yl)pentyl]-5H,6H,7H,8H-imidazo[1,2-a]pyrazine-2-carboxamide

• ChemBase ID: 826001
• Molecular Formular: C18H25N5O
• Molecular Mass: 327.424
• Monoisotopic Mass: 327.20591045
• SMILES: c1(nc2n(c1)CCNC2)C(=O)N(C(c1cnccc1)CCCC)C
• Canonical SMILES: CCCCC(N(C(=O)c1cn2c(n1)CNCC2)C)c1cccnc1
• InChI: InChI=1S/C18H25N5O/c1-3-4-7-16(14-6-5-8-19-11-14)22(2)18(24)15-13-23-10-9-20-12-17(23)21-15/h5-6,8,11,13,16,20H,3-4,7,9-10,12H2,1-2H3
• InChIKey: ADRKERVJFPUING-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.37929064
• LogD (pH = 7.4): 1.49552
• Log P: 1.5573204
• Molar Refractivity: 93.6158 cm^3
• Polarizability: 35.96383 Å^3
• Polar Surface Area: 63.05 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.39
• LOG S: -0.62
• Polar Surface Area: 63.05 Å^2
• Rotatable Bonds: 6