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

• ChemBase ID: 757545
• Molecular Formular: C17H18N4O
• Molecular Mass: 294.35102
• Monoisotopic Mass: 294.14806122
• SMILES: c1(n(c2c(c1)cccc2)C)C(=O)Nc1n2c(nc1)CCCC2
• Canonical SMILES: O=C(c1cc2c(n1C)cccc2)Nc1cnc2n1CCCC2
• InChI: InChI=1S/C17H18N4O/c1-20-13-7-3-2-6-12(13)10-14(20)17(22)19-16-11-18-15-8-4-5-9-21(15)16/h2-3,6-7,10-11H,4-5,8-9H2,1H3,(H,19,22)
• InChIKey: WRGBNZFZUBLFMB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.559965
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.6390449
• LogD (pH = 7.4): 2.2689927
• Log P: 2.296703
• Molar Refractivity: 86.494 cm^3
• Polarizability: 33.208397 Å^3
• Polar Surface Area: 51.85 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 1.76
• LOG S: -2.85
• Polar Surface Area: 51.85 Å^2
• Rotatable Bonds: 2