5-methyl-N-{[1-(propan-2-yl)piperidin-3-yl]methyl}imidazo[1,2-a]pyridine-2-carboxamide

• ChemBase ID: 480423
• Molecular Formular: C18H26N4O
• Molecular Mass: 314.42524
• Monoisotopic Mass: 314.21066147
• SMILES: c1(nc2n(c1)c(ccc2)C)C(=O)NCC1CN(C(C)C)CCC1
• Canonical SMILES: CC(N1CCCC(C1)CNC(=O)c1cn2c(n1)cccc2C)C
• InChI: InChI=1S/C18H26N4O/c1-13(2)21-9-5-7-15(11-21)10-19-18(23)16-12-22-14(3)6-4-8-17(22)20-16/h4,6,8,12-13,15H,5,7,9-11H2,1-3H3,(H,19,23)
• InChIKey: DMEPEZPTPYJXBH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methyl-N-{[1-(propan-2-yl)piperidin-3-yl]methyl}imidazo[1,2-a]pyridine-2-carboxamide
• IUPAC Traditional name: N-[(1-isopropylpiperidin-3-yl)methyl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide
• Synonyms: N-[(1-isopropylpiperidin-3-yl)methyl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.679387
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.63552
• LogD (pH = 7.4): -0.2627853
• Log P: 1.721624
• Molar Refractivity: 94.0269 cm^3
• Polarizability: 35.261906 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: 2.57
• LOG S: -3.69
• Polar Surface Area: 49.64 Å^2
• Rotatable Bonds: 4