N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}-3-{[5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}propanamide

• ChemBase ID: 831205
• Molecular Formular: C17H18N6O2S
• Molecular Mass: 370.42882
• Monoisotopic Mass: 370.12119485
• SMILES: c1(n2c(nc1)CCCC2)NC(=O)CCSc1oc(nn1)c1ccncc1
• Canonical SMILES: O=C(Nc1cnc2n1CCCC2)CCSc1nnc(o1)c1ccncc1
• InChI: InChI=1S/C17H18N6O2S/c24-15(20-14-11-19-13-3-1-2-9-23(13)14)6-10-26-17-22-21-16(25-17)12-4-7-18-8-5-12/h4-5,7-8,11H,1-3,6,9-10H2,(H,20,24)
• InChIKey: JBAKBAQWPSZCBM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}-3-{[5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}propanamide
• IUPAC Traditional name: N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}-3-{[5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}propanamide
• Synonyms: 3-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)thio]-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.81108
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.42728195
• LogD (pH = 7.4): 1.0782641
• Log P: 1.1089039
• Molar Refractivity: 110.3128 cm^3
• Polarizability: 37.55946 Å^3
• Polar Surface Area: 98.73 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 2.09
• LOG S: -3.69
• Polar Surface Area: 98.73 Å^2
• Rotatable Bonds: 6