N-({8-methylimidazo[1,2-a]pyridin-3-yl}methyl)-1-(propan-2-yl)piperidine-4-carboxamide

• ChemBase ID: 616042
• Molecular Formular: C18H26N4O
• Molecular Mass: 314.42524
• Monoisotopic Mass: 314.21066147
• SMILES: c12n(c(cn1)CNC(=O)C1CCN(CC1)C(C)C)cccc2C
• Canonical SMILES: O=C(C1CCN(CC1)C(C)C)NCc1cnc2n1cccc2C
• InChI: InChI=1S/C18H26N4O/c1-13(2)21-9-6-15(7-10-21)18(23)20-12-16-11-19-17-14(3)5-4-8-22(16)17/h4-5,8,11,13,15H,6-7,9-10,12H2,1-3H3,(H,20,23)
• InChIKey: PBHUBHVBMZNEBE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-({8-methylimidazo[1,2-a]pyridin-3-yl}methyl)-1-(propan-2-yl)piperidine-4-carboxamide
• IUPAC Traditional name: 1-isopropyl-N-({8-methylimidazo[1,2-a]pyridin-3-yl}methyl)piperidine-4-carboxamide
• Synonyms: 1-isopropyl-N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]piperidine-4-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.6401005
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.7394938
• LogD (pH = 7.4): -0.70439863
• Log P: 1.3975958
• Molar Refractivity: 93.666 cm^3
• Polarizability: 35.467754 Å^3
• Polar Surface Area: 49.64 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.41
• LOG S: -2.7
• Polar Surface Area: 49.64 Å^2
• Rotatable Bonds: 4