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

• ChemBase ID: 704404
• Molecular Formular: C12H17N7O
• Molecular Mass: 275.30968
• Monoisotopic Mass: 275.1494582
• SMILES: c1(n2c(nc1)CCCC2)NC(=O)CCCn1nnnc1
• Canonical SMILES: O=C(Nc1cnc2n1CCCC2)CCCn1cnnn1
• InChI: InChI=1S/C12H17N7O/c20-12(5-3-6-18-9-14-16-17-18)15-11-8-13-10-4-1-2-7-19(10)11/h8-9H,1-7H2,(H,15,20)
• InChIKey: FNDNCGGSMUGXNO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.831998
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -0.9017357
• LogD (pH = 7.4): -0.25086972
• Log P: -0.22019574
• Molar Refractivity: 86.3927 cm^3
• Polarizability: 26.93514 Å^3
• Polar Surface Area: 90.52 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: -0.01
• LOG S: -2.51
• Polar Surface Area: 90.52 Å^2
• Rotatable Bonds: 5