N-benzyl-N-methyl-3-({[1-(pyridin-4-yl)propyl]amino}methyl)imidazo[1,2-a]pyridine-2-carboxamide

• ChemBase ID: 854619
• Molecular Formular: C25H27N5O
• Molecular Mass: 413.51478
• Monoisotopic Mass: 413.22156051
• SMILES: c1(c(n2c(n1)cccc2)CNC(c1ccncc1)CC)C(=O)N(Cc1ccccc1)C
• Canonical SMILES: CCC(c1ccncc1)NCc1c(nc2n1cccc2)C(=O)N(Cc1ccccc1)C
• InChI: InChI=1S/C25H27N5O/c1-3-21(20-12-14-26-15-13-20)27-17-22-24(28-23-11-7-8-16-30(22)23)25(31)29(2)18-19-9-5-4-6-10-19/h4-16,21,27H,3,17-18H2,1-2H3
• InChIKey: WLLIPKVFGRAZPV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzyl-N-methyl-3-({[1-(pyridin-4-yl)propyl]amino}methyl)imidazo[1,2-a]pyridine-2-carboxamide
• IUPAC Traditional name: N-benzyl-N-methyl-3-({[1-(pyridin-4-yl)propyl]amino}methyl)imidazo[1,2-a]pyridine-2-carboxamide
• Synonyms: N-benzyl-N-methyl-3-({[1-(4-pyridinyl)propyl]amino}methyl)imidazo[1,2-a]pyridine-2-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.6436571
• LogD (pH = 7.4): 2.3784482
• Log P: 3.0921133
• Molar Refractivity: 123.5728 cm^3
• Polarizability: 46.995052 Å^3
• Polar Surface Area: 62.53 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 2.07
• LOG S: -4.24
• Polar Surface Area: 62.53 Å^2
• Rotatable Bonds: 7