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

• ChemBase ID: 665125
• Molecular Formular: C13H18N6O
• Molecular Mass: 274.32162
• Monoisotopic Mass: 274.15420923
• SMILES: c1(n2c(nc1)CCCC2)NC(=O)CCCn1ncnc1
• Canonical SMILES: O=C(Nc1cnc2n1CCCC2)CCCn1cncn1
• InChI: InChI=1S/C13H18N6O/c20-13(5-3-6-18-10-14-9-16-18)17-12-8-15-11-4-1-2-7-19(11)12/h8-10H,1-7H2,(H,17,20)
• InChIKey: MTSTZLFETSYLLQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.831998
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.5401062
• LogD (pH = 7.4): 0.111001715
• Log P: 0.1416788
• Molar Refractivity: 86.9936 cm^3
• Polarizability: 27.75543 Å^3
• Polar Surface Area: 77.63 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: -0.28
• LOG S: -2.27
• Polar Surface Area: 77.63 Å^2
• Rotatable Bonds: 5