2-{1H,4H,5H,6H,7H-imidazo[4,5-c]pyridin-2-yl}-1-methyl-1H-indole

• ChemBase ID: 449663
• Molecular Formular: C15H16N4
• Molecular Mass: 252.31434
• Monoisotopic Mass: 252.13749653
• SMILES: c1(c2n(c3c(c2)cccc3)C)nc2c([nH]1)CCNC2
• Canonical SMILES: Cn1c(cc2c1cccc2)c1nc2c([nH]1)CCNC2
• InChI: InChI=1S/C15H16N4/c1-19-13-5-3-2-4-10(13)8-14(19)15-17-11-6-7-16-9-12(11)18-15/h2-5,8,16H,6-7,9H2,1H3,(H,17,18)
• InChIKey: YLJBRYZJVPPXHT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{1H,4H,5H,6H,7H-imidazo[4,5-c]pyridin-2-yl}-1-methyl-1H-indole
• IUPAC Traditional name: 2-{1H,4H,5H,6H,7H-imidazo[4,5-c]pyridin-2-yl}-1-methylindole
• Synonyms: 2-(1-methyl-1H-indol-2-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.918978
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.0662287
• LogD (pH = 7.4): 0.6626527
• Log P: 1.4929941
• Molar Refractivity: 85.9984 cm^3
• Polarizability: 30.68027 Å^3
• Polar Surface Area: 45.64 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 2
• Log P: 1.02
• LOG S: -0.9
• Polar Surface Area: 45.64 Å^2
• Rotatable Bonds: 1