3-{imidazo[1,2-a]pyridin-2-yl}-N-[2-(1H-indol-1-yl)ethyl]-N-methylpropanamide

• ChemBase ID: 716589
• Molecular Formular: C21H22N4O
• Molecular Mass: 346.42558
• Monoisotopic Mass: 346.17936134
• SMILES: n12c(nc(c1)CCC(=O)N(CCn1ccc3c1cccc3)C)cccc2
• Canonical SMILES: CN(C(=O)CCc1nc2n(c1)cccc2)CCn1ccc2c1cccc2
• InChI: InChI=1S/C21H22N4O/c1-23(14-15-24-13-11-17-6-2-3-7-19(17)24)21(26)10-9-18-16-25-12-5-4-8-20(25)22-18/h2-8,11-13,16H,9-10,14-15H2,1H3
• InChIKey: IGWHLLKUGKLXJF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-{imidazo[1,2-a]pyridin-2-yl}-N-[2-(1H-indol-1-yl)ethyl]-N-methylpropanamide
• IUPAC Traditional name: 3-{imidazo[1,2-a]pyridin-2-yl}-N-[2-(indol-1-yl)ethyl]-N-methylpropanamide
• Synonyms: 3-imidazo[1,2-a]pyridin-2-yl-N-[2-(1H-indol-1-yl)ethyl]-N-methylpropanamide

CALCULATED PROPERTIES

JChem

• H Donor: 0
• LogD (pH = 5.5): 1.7409738
• LogD (pH = 7.4): 2.4529788
• Log P: 2.4803507
• Molar Refractivity: 103.109 cm^3
• Polarizability: 40.369526 Å^3
• Polar Surface Area: 42.54 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true
• H Acceptors: 2

供应商提供(Chembridge)

• H Donor: 0
• Log P: 3.09
• LOG S: -5.47
• Polar Surface Area: 42.54 Å^2
• Rotatable Bonds: 6
• H Acceptors: 2