N,8-dimethyl-N-(2-phenylethyl)-3-{[4-(propan-2-yl)piperazin-1-yl]methyl}imidazo[1,2-a]pyridine-2-carboxamide

• ChemBase ID: 827600
• Molecular Formular: C26H35N5O
• Molecular Mass: 433.589
• Monoisotopic Mass: 433.28416077
• SMILES: c1(c(n2c(n1)c(ccc2)C)CN1CCN(CC1)C(C)C)C(=O)N(CCc1ccccc1)C
• Canonical SMILES: CC(N1CCN(CC1)Cc1c(nc2n1cccc2C)C(=O)N(CCc1ccccc1)C)C
• InChI: InChI=1S/C26H35N5O/c1-20(2)30-17-15-29(16-18-30)19-23-24(27-25-21(3)9-8-13-31(23)25)26(32)28(4)14-12-22-10-6-5-7-11-22/h5-11,13,20H,12,14-19H2,1-4H3
• InChIKey: NCFWPBNCKQVZQM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,8-dimethyl-N-(2-phenylethyl)-3-{[4-(propan-2-yl)piperazin-1-yl]methyl}imidazo[1,2-a]pyridine-2-carboxamide
• IUPAC Traditional name: 3-[(4-isopropylpiperazin-1-yl)methyl]-N,8-dimethyl-N-(2-phenylethyl)imidazo[1,2-a]pyridine-2-carboxamide
• Synonyms: 3-[(4-isopropyl-1-piperazinyl)methyl]-N,8-dimethyl-N-(2-phenylethyl)imidazo[1,2-a]pyridine-2-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.6159234
• LogD (pH = 7.4): 2.3768456
• Log P: 3.4518483
• Molar Refractivity: 132.4827 cm^3
• Polarizability: 50.078022 Å^3
• Polar Surface Area: 44.09 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 3.76
• LOG S: -3.34
• Polar Surface Area: 44.09 Å^2
• Rotatable Bonds: 6