N-[2-(1H-indol-1-yl)ethyl]-N-methylimidazo[1,2-a]pyridine-6-carboxamide

• ChemBase ID: 316575
• Molecular Formular: C19H18N4O
• Molecular Mass: 318.37242
• Monoisotopic Mass: 318.14806122
• SMILES: c1(cn2c(ncc2)cc1)C(=O)N(CCn1ccc2c1cccc2)C
• Canonical SMILES: CN(C(=O)c1ccc2n(c1)ccn2)CCn1ccc2c1cccc2
• InChI: InChI=1S/C19H18N4O/c1-21(12-13-22-10-8-15-4-2-3-5-17(15)22)19(24)16-6-7-18-20-9-11-23(18)14-16/h2-11,14H,12-13H2,1H3
• InChIKey: JCCGNPOYIBTXQE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(1H-indol-1-yl)ethyl]-N-methylimidazo[1,2-a]pyridine-6-carboxamide
• IUPAC Traditional name: N-[2-(indol-1-yl)ethyl]-N-methylimidazo[1,2-a]pyridine-6-carboxamide
• Synonyms: N-[2-(1H-indol-1-yl)ethyl]-N-methylimidazo[1,2-a]pyridine-6-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.5534376
• LogD (pH = 7.4): 2.1571987
• Log P: 2.1817007
• Molar Refractivity: 94.8804 cm^3
• Polarizability: 36.458305 Å^3
• Polar Surface Area: 42.54 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 2.09
• LOG S: -4.42
• Polar Surface Area: 42.54 Å^2
• Rotatable Bonds: 4