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

• ChemBase ID: 785256
• Molecular Formular: C23H25N5O2
• Molecular Mass: 403.4769
• Monoisotopic Mass: 403.20082507
• SMILES: c1(c(n2c(n1)cccc2)CN(C(c1nocc1)C)C)C(=O)N(Cc1ccccc1)C
• Canonical SMILES: CC(N(Cc1c(nc2n1cccc2)C(=O)N(Cc1ccccc1)C)C)c1ccon1
• InChI: InChI=1S/C23H25N5O2/c1-17(19-12-14-30-25-19)26(2)16-20-22(24-21-11-7-8-13-28(20)21)23(29)27(3)15-18-9-5-4-6-10-18/h4-14,17H,15-16H2,1-3H3
• InChIKey: ZNQWWZLPHMCERI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzyl-N-methyl-3-({methyl[1-(1,2-oxazol-3-yl)ethyl]amino}methyl)imidazo[1,2-a]pyridine-2-carboxamide
• IUPAC Traditional name: N-benzyl-N-methyl-3-({methyl[1-(1,2-oxazol-3-yl)ethyl]amino}methyl)imidazo[1,2-a]pyridine-2-carboxamide
• Synonyms: N-benzyl-3-{[[1-(3-isoxazolyl)ethyl](methyl)amino]methyl}-N-methylimidazo[1,2-a]pyridine-2-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.1078033
• LogD (pH = 7.4): 2.7493725
• Log P: 2.7685177
• Molar Refractivity: 117.4953 cm^3
• Polarizability: 43.864765 Å^3
• Polar Surface Area: 66.88 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 2.09
• LOG S: -2.42
• Polar Surface Area: 66.88 Å^2
• Rotatable Bonds: 7