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

• ChemBase ID: 500897
• Molecular Formular: C16H17N5O
• Molecular Mass: 295.33908
• Monoisotopic Mass: 295.14331019
• SMILES: c1(n2c(nc1)CCCC2)NC(=O)Cn1nc2c(c1)cccc2
• Canonical SMILES: O=C(Nc1cnc2n1CCCC2)Cn1cc2c(n1)cccc2
• InChI: InChI=1S/C16H17N5O/c22-16(11-20-10-12-5-1-2-6-13(12)19-20)18-15-9-17-14-7-3-4-8-21(14)15/h1-2,5-6,9-10H,3-4,7-8,11H2,(H,18,22)
• InChIKey: KWQDSYVQWPNUGN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.293955
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.0059229
• LogD (pH = 7.4): 1.6484134
• Log P: 1.6778516
• Molar Refractivity: 94.4433 cm^3
• Polarizability: 32.41269 Å^3
• Polar Surface Area: 64.74 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.01
• LOG S: -3.07
• Polar Surface Area: 64.74 Å^2
• Rotatable Bonds: 3