1-{8-methylimidazo[1,2-a]pyridine-2-carbonyl}-3-(4-phenyl-1H-pyrazol-5-yl)piperidine

• ChemBase ID: 696354
• Molecular Formular: C23H23N5O
• Molecular Mass: 385.46162
• Monoisotopic Mass: 385.19026038
• SMILES: c1(nc2n(c1)cccc2C)C(=O)N1CC(c2c(cn[nH]2)c2ccccc2)CCC1
• Canonical SMILES: O=C(c1cn2c(n1)c(C)ccc2)N1CCCC(C1)c1[nH]ncc1c1ccccc1
• InChI: InChI=1S/C23H23N5O/c1-16-7-5-11-27-15-20(25-22(16)27)23(29)28-12-6-10-18(14-28)21-19(13-24-26-21)17-8-3-2-4-9-17/h2-5,7-9,11,13,15,18H,6,10,12,14H2,1H3,(H,24,26)
• InChIKey: CZGDKOPKNRGWHJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{8-methylimidazo[1,2-a]pyridine-2-carbonyl}-3-(4-phenyl-1H-pyrazol-5-yl)piperidine
• IUPAC Traditional name: 1-{8-methylimidazo[1,2-a]pyridine-2-carbonyl}-3-(4-phenyl-2H-pyrazol-3-yl)piperidine
• Synonyms: 8-methyl-2-{[3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]carbonyl}imidazo[1,2-a]pyridine

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.236489
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.0549335
• LogD (pH = 7.4): 3.0629134
• Log P: 3.0630162
• Molar Refractivity: 114.9423 cm^3
• Polarizability: 43.731407 Å^3
• Polar Surface Area: 66.29 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.06
• LOG S: -4.62
• Polar Surface Area: 66.29 Å^2
• Rotatable Bonds: 3