2-[2-(2-methyl-1H-imidazol-1-yl)ethyl]-1-{5-methylimidazo[1,2-a]pyridine-2-carbonyl}piperidine

• ChemBase ID: 547649
• Molecular Formular: C20H25N5O
• Molecular Mass: 351.4454
• Monoisotopic Mass: 351.20591045
• SMILES: c1(nc2n(c1)c(ccc2)C)C(=O)N1C(CCn2c(ncc2)C)CCCC1
• Canonical SMILES: O=C(N1CCCCC1CCn1ccnc1C)c1nc2n(c1)c(C)ccc2
• InChI: InChI=1S/C20H25N5O/c1-15-6-5-8-19-22-18(14-25(15)19)20(26)24-11-4-3-7-17(24)9-12-23-13-10-21-16(23)2/h5-6,8,10,13-14,17H,3-4,7,9,11-12H2,1-2H3
• InChIKey: WGOUUVAFDLDGIT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[2-(2-methyl-1H-imidazol-1-yl)ethyl]-1-{5-methylimidazo[1,2-a]pyridine-2-carbonyl}piperidine
• IUPAC Traditional name: 1-{5-methylimidazo[1,2-a]pyridine-2-carbonyl}-2-[2-(2-methylimidazol-1-yl)ethyl]piperidine
• Synonyms: 5-methyl-2-({2-[2-(2-methyl-1H-imidazol-1-yl)ethyl]-1-piperidinyl}carbonyl)imidazo[1,2-a]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.62518346
• LogD (pH = 7.4): 1.3980306
• Log P: 1.643038
• Molar Refractivity: 102.6447 cm^3
• Polarizability: 38.22699 Å^3
• Polar Surface Area: 55.43 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.35
• LOG S: -2.92
• Polar Surface Area: 55.43 Å^2
• Rotatable Bonds: 4