2-({2-[1-(5-methoxyfuran-2-carbonyl)piperidin-3-yl]-1H-imidazol-1-yl}methyl)pyridine

• ChemBase ID: 517344
• Molecular Formular: C20H22N4O3
• Molecular Mass: 366.41368
• Monoisotopic Mass: 366.16919058
• SMILES: c1(n(ccn1)Cc1ncccc1)C1CN(C(=O)c2oc(cc2)OC)CCC1
• Canonical SMILES: COc1ccc(o1)C(=O)N1CCCC(C1)c1nccn1Cc1ccccn1
• InChI: InChI=1S/C20H22N4O3/c1-26-18-8-7-17(27-18)20(25)24-11-4-5-15(13-24)19-22-10-12-23(19)14-16-6-2-3-9-21-16/h2-3,6-10,12,15H,4-5,11,13-14H2,1H3
• InChIKey: FDHFTTWCRJXGCX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-({2-[1-(5-methoxyfuran-2-carbonyl)piperidin-3-yl]-1H-imidazol-1-yl}methyl)pyridine
• IUPAC Traditional name: 2-({2-[1-(5-methoxyfuran-2-carbonyl)piperidin-3-yl]imidazol-1-yl}methyl)pyridine
• Synonyms: 2-({2-[1-(5-methoxy-2-furoyl)-3-piperidinyl]-1H-imidazol-1-yl}methyl)pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.7651012
• LogD (pH = 7.4): 1.4779207
• Log P: 1.5052576
• Molar Refractivity: 98.9051 cm^3
• Polarizability: 37.92566 Å^3
• Polar Surface Area: 73.39 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.6
• LOG S: -1.94
• Polar Surface Area: 73.39 Å^2
• Rotatable Bonds: 5