3-(1-butyl-1H-imidazol-2-yl)-1-{5-methylimidazo[1,2-a]pyridine-2-carbonyl}piperidine

• ChemBase ID: 722821
• Molecular Formular: C21H27N5O
• Molecular Mass: 365.47198
• Monoisotopic Mass: 365.22156051
• SMILES: c1(nc2n(c1)c(ccc2)C)C(=O)N1CC(c2n(ccn2)CCCC)CCC1
• Canonical SMILES: CCCCn1ccnc1C1CCCN(C1)C(=O)c1cn2c(n1)cccc2C
• InChI: InChI=1S/C21H27N5O/c1-3-4-11-24-13-10-22-20(24)17-8-6-12-25(14-17)21(27)18-15-26-16(2)7-5-9-19(26)23-18/h5,7,9-10,13,15,17H,3-4,6,8,11-12,14H2,1-2H3
• InChIKey: FOPISZWPSYXOEO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(1-butyl-1H-imidazol-2-yl)-1-{5-methylimidazo[1,2-a]pyridine-2-carbonyl}piperidine
• IUPAC Traditional name: 3-(1-butylimidazol-2-yl)-1-{5-methylimidazo[1,2-a]pyridine-2-carbonyl}piperidine
• Synonyms: 2-{[3-(1-butyl-1H-imidazol-2-yl)-1-piperidinyl]carbonyl}-5-methylimidazo[1,2-a]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.9480095
• LogD (pH = 7.4): 2.5917523
• Log P: 2.620733
• Molar Refractivity: 107.3939 cm^3
• Polarizability: 40.063168 Å^3
• Polar Surface Area: 55.43 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.22
• LOG S: -3.76
• Polar Surface Area: 55.43 Å^2
• Rotatable Bonds: 5