1-cycloheptyl-N-({7-methylimidazo[1,2-a]pyridin-2-yl}methyl)-6-oxopiperidine-3-carboxamide

• ChemBase ID: 330126
• Molecular Formular: C22H30N4O2
• Molecular Mass: 382.4992
• Monoisotopic Mass: 382.23687622
• SMILES: c12n(cc(n1)CNC(=O)C1CN(C(=O)CC1)C1CCCCCC1)ccc(c2)C
• Canonical SMILES: O=C(C1CCC(=O)N(C1)C1CCCCCC1)NCc1cn2c(n1)cc(cc2)C
• InChI: InChI=1S/C22H30N4O2/c1-16-10-11-25-15-18(24-20(25)12-16)13-23-22(28)17-8-9-21(27)26(14-17)19-6-4-2-3-5-7-19/h10-12,15,17,19H,2-9,13-14H2,1H3,(H,23,28)
• InChIKey: VNXRIKUVGJLHBM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cycloheptyl-N-({7-methylimidazo[1,2-a]pyridin-2-yl}methyl)-6-oxopiperidine-3-carboxamide
• IUPAC Traditional name: 1-cycloheptyl-N-({7-methylimidazo[1,2-a]pyridin-2-yl}methyl)-6-oxopiperidine-3-carboxamide
• Synonyms: 1-cycloheptyl-N-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]-6-oxo-3-piperidinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.342075
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.6785086
• LogD (pH = 7.4): 2.2184734
• Log P: 2.23353
• Molar Refractivity: 109.1856 cm^3
• Polarizability: 41.791283 Å^3
• Polar Surface Area: 66.71 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 3.03
• LOG S: -4.78
• Polar Surface Area: 66.71 Å^2
• Rotatable Bonds: 4