{imidazo[1,2-a]pyridin-2-ylmethyl}[1-(1,2,3,4-tetrahydroisoquinolin-2-yl)propan-2-yl]amine

• ChemBase ID: 434258
• Molecular Formular: C20H24N4
• Molecular Mass: 320.43136
• Monoisotopic Mass: 320.20009679
• SMILES: n1c2n(cc1CNC(CN1Cc3c(CC1)cccc3)C)cccc2
• Canonical SMILES: CC(CN1CCc2c(C1)cccc2)NCc1nc2n(c1)cccc2
• InChI: InChI=1S/C20H24N4/c1-16(13-23-11-9-17-6-2-3-7-18(17)14-23)21-12-19-15-24-10-5-4-8-20(24)22-19/h2-8,10,15-16,21H,9,11-14H2,1H3
• InChIKey: IQKDGKPMHRZQNG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {imidazo[1,2-a]pyridin-2-ylmethyl}[1-(1,2,3,4-tetrahydroisoquinolin-2-yl)propan-2-yl]amine
• IUPAC Traditional name: [1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-yl]({imidazo[1,2-a]pyridin-2-ylmethyl})amine
• Synonyms: 1-(3,4-dihydroisoquinolin-2(1H)-yl)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)propan-2-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.9389989
• LogD (pH = 7.4): 1.351799
• Log P: 2.5989513
• Molar Refractivity: 99.0223 cm^3
• Polarizability: 38.05249 Å^3
• Polar Surface Area: 32.57 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.12
• LOG S: -3.2
• Polar Surface Area: 32.57 Å^2
• Rotatable Bonds: 5