2-{3-[1-(cyclobutylmethyl)-1H-imidazol-2-yl]piperidin-1-yl}-3-methoxypyrazine

• ChemBase ID: 731385
• Molecular Formular: C18H25N5O
• Molecular Mass: 327.424
• Monoisotopic Mass: 327.20591045
• SMILES: c1(n(ccn1)CC1CCC1)C1CN(c2c(nccn2)OC)CCC1
• Canonical SMILES: COc1nccnc1N1CCCC(C1)c1nccn1CC1CCC1
• InChI: InChI=1S/C18H25N5O/c1-24-18-17(19-7-8-21-18)22-10-3-6-15(13-22)16-20-9-11-23(16)12-14-4-2-5-14/h7-9,11,14-15H,2-6,10,12-13H2,1H3
• InChIKey: QJKBYYCGWXQLAV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{3-[1-(cyclobutylmethyl)-1H-imidazol-2-yl]piperidin-1-yl}-3-methoxypyrazine
• IUPAC Traditional name: 2-{3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl}-3-methoxypyrazine
• Synonyms: 2-{3-[1-(cyclobutylmethyl)-1H-imidazol-2-yl]-1-piperidinyl}-3-methoxypyrazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.6283498
• LogD (pH = 7.4): 2.4446707
• Log P: 2.556215
• Molar Refractivity: 93.7404 cm^3
• Polarizability: 35.412235 Å^3
• Polar Surface Area: 56.07 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.03
• LOG S: -4.17
• Polar Surface Area: 56.07 Å^2
• Rotatable Bonds: 5