5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-({5-methylimidazo[1,2-a]pyridin-2-yl}methyl)pyridin-2-amine

• ChemBase ID: 565064
• Molecular Formular: C19H18N6O
• Molecular Mass: 346.38582
• Monoisotopic Mass: 346.15420923
• SMILES: n1c(noc1c1cnc(NCc2nc3n(c2)c(ccc3)C)cc1)C1CC1
• Canonical SMILES: Cc1cccc2n1cc(n2)CNc1ccc(cn1)c1onc(n1)C1CC1
• InChI: InChI=1S/C19H18N6O/c1-12-3-2-4-17-22-15(11-25(12)17)10-21-16-8-7-14(9-20-16)19-23-18(24-26-19)13-5-6-13/h2-4,7-9,11,13H,5-6,10H2,1H3,(H,20,21)
• InChIKey: GFVBOOXCWVCICL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-({5-methylimidazo[1,2-a]pyridin-2-yl}methyl)pyridin-2-amine
• IUPAC Traditional name: 5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-({5-methylimidazo[1,2-a]pyridin-2-yl}methyl)pyridin-2-amine
• Synonyms: 5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-2-pyridinamine

CALCULATED PROPERTIES

JChem

• Acid pKa: 17.254524
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 2.3498113
• LogD (pH = 7.4): 3.0137348
• Log P: 3.0311625
• Molar Refractivity: 111.2682 cm^3
• Polarizability: 36.83116 Å^3
• Polar Surface Area: 81.14 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 2.48
• LOG S: -5.83
• Polar Surface Area: 81.14 Å^2
• Rotatable Bonds: 5