{imidazo[1,2-a]pyridin-3-ylmethyl}(1H-indol-4-ylmethyl)methylamine

• ChemBase ID: 579530
• Molecular Formular: C18H18N4
• Molecular Mass: 290.36232
• Monoisotopic Mass: 290.1531466
• SMILES: n12c(cnc1cccc2)CN(Cc1c2c([nH]cc2)ccc1)C
• Canonical SMILES: CN(Cc1cccc2c1cc[nH]2)Cc1cnc2n1cccc2
• InChI: InChI=1S/C18H18N4/c1-21(12-14-5-4-6-17-16(14)8-9-19-17)13-15-11-20-18-7-2-3-10-22(15)18/h2-11,19H,12-13H2,1H3
• InChIKey: RROOUSCBEYOFSE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {imidazo[1,2-a]pyridin-3-ylmethyl}(1H-indol-4-ylmethyl)methylamine
• IUPAC Traditional name: {imidazo[1,2-a]pyridin-3-ylmethyl}(1H-indol-4-ylmethyl)methylamine
• Synonyms: (imidazo[1,2-a]pyridin-3-ylmethyl)(1H-indol-4-ylmethyl)methylamine

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.340809
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.40930066
• LogD (pH = 7.4): 1.4396217
• Log P: 2.4441824
• Molar Refractivity: 90.0557 cm^3
• Polarizability: 35.208405 Å^3
• Polar Surface Area: 36.33 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 2.9
• LOG S: -3.9
• Polar Surface Area: 36.33 Å^2
• Rotatable Bonds: 4