(3-{2-[1-(3-methoxypyrazin-2-yl)piperidin-4-yl]-1H-imidazol-1-yl}propyl)dimethylamine

• ChemBase ID: 393714
• Molecular Formular: C18H28N6O
• Molecular Mass: 344.45452
• Monoisotopic Mass: 344.23245955
• SMILES: c1(n(ccn1)CCCN(C)C)C1CCN(c2c(nccn2)OC)CC1
• Canonical SMILES: COc1nccnc1N1CCC(CC1)c1nccn1CCCN(C)C
• InChI: InChI=1S/C18H28N6O/c1-22(2)10-4-11-23-14-9-20-16(23)15-5-12-24(13-6-15)17-18(25-3)21-8-7-19-17/h7-9,14-15H,4-6,10-13H2,1-3H3
• InChIKey: MNMOLOIJKPPECJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3-{2-[1-(3-methoxypyrazin-2-yl)piperidin-4-yl]-1H-imidazol-1-yl}propyl)dimethylamine
• IUPAC Traditional name: (3-{2-[1-(3-methoxypyrazin-2-yl)piperidin-4-yl]imidazol-1-yl}propyl)dimethylamine
• Synonyms: (3-{2-[1-(3-methoxypyrazin-2-yl)piperidin-4-yl]-1H-imidazol-1-yl}propyl)dimethylamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): -3.1171048
• LogD (pH = 7.4): -1.1245644
• Log P: 1.2537658
• Molar Refractivity: 100.2359 cm^3
• Polarizability: 37.665894 Å^3
• Polar Surface Area: 59.31 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.91
• LOG S: -2.33
• Polar Surface Area: 59.31 Å^2
• Rotatable Bonds: 7