4-(1-butyl-1H-imidazol-2-yl)-1-{5-methylimidazo[1,2-a]pyridine-2-carbonyl}piperidine

• ChemBase ID: 465714
• Molecular Formular: C21H27N5O
• Molecular Mass: 365.47198
• Monoisotopic Mass: 365.22156051
• SMILES: c1(nc2n(c1)c(ccc2)C)C(=O)N1CCC(c2n(ccn2)CCCC)CC1
• Canonical SMILES: CCCCn1ccnc1C1CCN(CC1)C(=O)c1cn2c(n1)cccc2C
• InChI: InChI=1S/C21H27N5O/c1-3-4-11-24-14-10-22-20(24)17-8-12-25(13-9-17)21(27)18-15-26-16(2)6-5-7-19(26)23-18/h5-7,10,14-15,17H,3-4,8-9,11-13H2,1-2H3
• InChIKey: QFRWMFZABYMUIU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(1-butyl-1H-imidazol-2-yl)-1-{5-methylimidazo[1,2-a]pyridine-2-carbonyl}piperidine
• IUPAC Traditional name: 4-(1-butylimidazol-2-yl)-1-{5-methylimidazo[1,2-a]pyridine-2-carbonyl}piperidine
• Synonyms: 2-{[4-(1-butyl-1H-imidazol-2-yl)-1-piperidinyl]carbonyl}-5-methylimidazo[1,2-a]pyridine

CALCULATED PROPERTIES

供应商提供(Chembridge)

• LOG S: -3.73
• Polar Surface Area: 55.43 Å^2
• Rotatable Bonds: 5
• H Acceptors: 3
• H Donor: 0
• Log P: 2.18

JChem

• Molar Refractivity: 107.5479 cm^3
• Polarizability: 40.06326 Å^3
• Polar Surface Area: 55.43 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.7783998
• LogD (pH = 7.4): 2.434103
• Log P: 2.4648254