2-(4-{2-[5-(oxan-2-yl)furan-2-yl]-1H-imidazol-1-yl}piperidin-1-yl)pyrazine

• ChemBase ID: 390047
• Molecular Formular: C21H25N5O2
• Molecular Mass: 379.4555
• Monoisotopic Mass: 379.20082507
• SMILES: c1(n(C2CCN(c3nccnc3)CC2)ccn1)c1oc(cc1)C1OCCCC1
• Canonical SMILES: C1CCC(OC1)c1ccc(o1)c1nccn1C1CCN(CC1)c1cnccn1
• InChI: InChI=1S/C21H25N5O2/c1-2-14-27-17(3-1)18-4-5-19(28-18)21-24-10-13-26(21)16-6-11-25(12-7-16)20-15-22-8-9-23-20/h4-5,8-10,13,15-17H,1-3,6-7,11-12,14H2
• InChIKey: YJWFRJUHMOQUHJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-{2-[5-(oxan-2-yl)furan-2-yl]-1H-imidazol-1-yl}piperidin-1-yl)pyrazine
• IUPAC Traditional name: 2-(4-{2-[5-(oxan-2-yl)furan-2-yl]imidazol-1-yl}piperidin-1-yl)pyrazine
• Synonyms: 2-(4-{2-[5-(tetrahydro-2H-pyran-2-yl)-2-furyl]-1H-imidazol-1-yl}piperidin-1-yl)pyrazine

CALCULATED PROPERTIES

JChem

• Rotatable Bonds: 4
• Lipinski's Rule of Five: true
• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.863149
• LogD (pH = 7.4): 1.9452426
• Log P: 1.9464189
• Molar Refractivity: 116.6081 cm^3
• Polarizability: 40.796947 Å^3
• Polar Surface Area: 69.21 Å^2

供应商提供(Chembridge)

• Rotatable Bonds: 4
• H Acceptors: 5
• H Donor: 0
• Log P: 1.36
• LOG S: -3.13
• Polar Surface Area: 69.21 Å^2