1-{imidazo[1,2-a]pyridine-6-carbonyl}-4-phenylpiperidine-4-carbonitrile

• ChemBase ID: 509741
• Molecular Formular: C20H18N4O
• Molecular Mass: 330.38312
• Monoisotopic Mass: 330.14806122
• SMILES: c1(C(=O)N2CCC(C#N)(CC2)c2ccccc2)cn2c(ncc2)cc1
• Canonical SMILES: N#CC1(CCN(CC1)C(=O)c1ccc2n(c1)ccn2)c1ccccc1
• InChI: InChI=1S/C20H18N4O/c21-15-20(17-4-2-1-3-5-17)8-11-23(12-9-20)19(25)16-6-7-18-22-10-13-24(18)14-16/h1-7,10,13-14H,8-9,11-12H2
• InChIKey: ABTIZCLQGFEDHW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{imidazo[1,2-a]pyridine-6-carbonyl}-4-phenylpiperidine-4-carbonitrile
• IUPAC Traditional name: 1-{imidazo[1,2-a]pyridine-6-carbonyl}-4-phenylpiperidine-4-carbonitrile
• Synonyms: 1-(imidazo[1,2-a]pyridin-6-ylcarbonyl)-4-phenylpiperidine-4-carbonitrile

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.2506274
• LogD (pH = 7.4): 1.8539654
• Log P: 1.8784196
• Molar Refractivity: 96.7654 cm^3
• Polarizability: 35.872787 Å^3
• Polar Surface Area: 61.4 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.25
• LOG S: -2.94
• Polar Surface Area: 61.4 Å^2
• Rotatable Bonds: 2