N-(1-cycloheptylpiperidin-3-yl)-8-methylimidazo[1,2-a]pyridine-2-carboxamide

• ChemBase ID: 625346
• Molecular Formular: C21H30N4O
• Molecular Mass: 354.4891
• Monoisotopic Mass: 354.2419616
• SMILES: n1c(cn2c1c(ccc2)C)C(=O)NC1CN(C2CCCCCC2)CCC1
• Canonical SMILES: O=C(c1cn2c(n1)c(C)ccc2)NC1CCCN(C1)C1CCCCCC1
• InChI: InChI=1S/C21H30N4O/c1-16-8-6-13-25-15-19(23-20(16)25)21(26)22-17-9-7-12-24(14-17)18-10-4-2-3-5-11-18/h6,8,13,15,17-18H,2-5,7,9-12,14H2,1H3,(H,22,26)
• InChIKey: AANHQTNNMWVVSP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1-cycloheptylpiperidin-3-yl)-8-methylimidazo[1,2-a]pyridine-2-carboxamide
• IUPAC Traditional name: N-(1-cycloheptylpiperidin-3-yl)-8-methylimidazo[1,2-a]pyridine-2-carboxamide
• Synonyms: N-(1-cycloheptyl-3-piperidinyl)-8-methylimidazo[1,2-a]pyridine-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.742734
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.13893627
• LogD (pH = 7.4): 1.5856699
• Log P: 3.4611857
• Molar Refractivity: 105.4262 cm^3
• Polarizability: 40.05888 Å^3
• Polar Surface Area: 49.64 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 4.86
• LOG S: -4.88
• Polar Surface Area: 49.64 Å^2
• Rotatable Bonds: 3