N,8-dimethyl-3-{[methyl(pyridin-3-ylmethyl)amino]methyl}-N-(2-phenylethyl)imidazo[1,2-a]pyridine-2-carboxamide

• ChemBase ID: 322853
• Molecular Formular: C26H29N5O
• Molecular Mass: 427.54136
• Monoisotopic Mass: 427.23721057
• SMILES: c1(c(n2c(n1)c(ccc2)C)CN(Cc1cnccc1)C)C(=O)N(CCc1ccccc1)C
• Canonical SMILES: CN(Cc1c(nc2n1cccc2C)C(=O)N(CCc1ccccc1)C)Cc1cccnc1
• InChI: InChI=1S/C26H29N5O/c1-20-9-8-15-31-23(19-29(2)18-22-12-7-14-27-17-22)24(28-25(20)31)26(32)30(3)16-13-21-10-5-4-6-11-21/h4-12,14-15,17H,13,16,18-19H2,1-3H3
• InChIKey: AEMUCGYKAVSHCF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,8-dimethyl-3-{[methyl(pyridin-3-ylmethyl)amino]methyl}-N-(2-phenylethyl)imidazo[1,2-a]pyridine-2-carboxamide
• IUPAC Traditional name: N,8-dimethyl-3-{[methyl(pyridin-3-ylmethyl)amino]methyl}-N-(2-phenylethyl)imidazo[1,2-a]pyridine-2-carboxamide
• Synonyms: N,8-dimethyl-3-{[methyl(3-pyridinylmethyl)amino]methyl}-N-(2-phenylethyl)imidazo[1,2-a]pyridine-2-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.7980635
• LogD (pH = 7.4): 3.1835117
• Log P: 3.3381464
• Molar Refractivity: 129.7209 cm^3
• Polarizability: 48.763393 Å^3
• Polar Surface Area: 53.74 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.72
• LOG S: -3.96
• Polar Surface Area: 53.74 Å^2
• Rotatable Bonds: 8