3-ethyl-N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}-1H-indole-2-carboxamide

• ChemBase ID: 624470
• Molecular Formular: C18H20N4O
• Molecular Mass: 308.3776
• Monoisotopic Mass: 308.16371128
• SMILES: c1([nH]c2c(c1CC)cccc2)C(=O)Nc1n2c(nc1)CCCC2
• Canonical SMILES: CCc1c([nH]c2c1cccc2)C(=O)Nc1cnc2n1CCCC2
• InChI: InChI=1S/C18H20N4O/c1-2-12-13-7-3-4-8-14(13)20-17(12)18(23)21-16-11-19-15-9-5-6-10-22(15)16/h3-4,7-8,11,20H,2,5-6,9-10H2,1H3,(H,21,23)
• InChIKey: SCGUZJYPWDNLMW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-ethyl-N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}-1H-indole-2-carboxamide
• IUPAC Traditional name: 3-ethyl-N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}-1H-indole-2-carboxamide
• Synonyms: 3-ethyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-1H-indole-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.9494295
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.3733485
• LogD (pH = 7.4): 3.0033047
• Log P: 3.0310173
• Molar Refractivity: 91.2395 cm^3
• Polarizability: 35.055874 Å^3
• Polar Surface Area: 62.71 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 2
• Log P: 2.36
• LOG S: -3.46
• Polar Surface Area: 62.71 Å^2
• Rotatable Bonds: 3