N,8-dimethyl-N-(2-phenylethyl)-3-{4H,5H,6H,7H-thieno[3,2-c]pyridin-5-ylmethyl}imidazo[1,2-a]pyridine-2-carboxamide

• ChemBase ID: 561592
• Molecular Formular: C26H28N4OS
• Molecular Mass: 444.59172
• Monoisotopic Mass: 444.19838254
• SMILES: c1(c(n2c(n1)c(ccc2)C)CN1Cc2c(scc2)CC1)C(=O)N(CCc1ccccc1)C
• Canonical SMILES: CN(C(=O)c1nc2n(c1CN1CCc3c(C1)ccs3)cccc2C)CCc1ccccc1
• InChI: InChI=1S/C26H28N4OS/c1-19-7-6-13-30-22(18-29-15-11-23-21(17-29)12-16-32-23)24(27-25(19)30)26(31)28(2)14-10-20-8-4-3-5-9-20/h3-9,12-13,16H,10-11,14-15,17-18H2,1-2H3
• InChIKey: GVLPNBWMUMSUBT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,8-dimethyl-N-(2-phenylethyl)-3-{4H,5H,6H,7H-thieno[3,2-c]pyridin-5-ylmethyl}imidazo[1,2-a]pyridine-2-carboxamide
• IUPAC Traditional name: N,8-dimethyl-N-(2-phenylethyl)-3-{4H,6H,7H-thieno[3,2-c]pyridin-5-ylmethyl}imidazo[1,2-a]pyridine-2-carboxamide
• Synonyms: 3-(6,7-dihydrothieno[3,2-c]pyridin-5(4H)-ylmethyl)-N,8-dimethyl-N-(2-phenylethyl)imidazo[1,2-a]pyridine-2-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.9981136
• LogD (pH = 7.4): 4.3628817
• Log P: 4.508589
• Molar Refractivity: 132.1877 cm^3
• Polarizability: 49.331345 Å^3
• Polar Surface Area: 40.85 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 4.14
• LOG S: -5.28
• Polar Surface Area: 40.85 Å^2
• Rotatable Bonds: 6