N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}-1H-imidazole-2-carboxamide

• ChemBase ID: 392752
• Molecular Formular: C11H13N5O
• Molecular Mass: 231.25382
• Monoisotopic Mass: 231.11201006
• SMILES: c1(n2c(nc1)CCCC2)NC(=O)c1ncc[nH]1
• Canonical SMILES: O=C(c1ncc[nH]1)Nc1cnc2n1CCCC2
• InChI: InChI=1S/C11H13N5O/c17-11(10-12-4-5-13-10)15-9-7-14-8-3-1-2-6-16(8)9/h4-5,7H,1-3,6H2,(H,12,13)(H,15,17)
• InChIKey: CCUDJDWHJBXVBK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.334698
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.33411914
• LogD (pH = 7.4): 0.2820735
• Log P: 0.3133389
• Molar Refractivity: 63.0653 cm^3
• Polarizability: 23.103176 Å^3
• Polar Surface Area: 75.6 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 0.3
• LOG S: -2.45
• Polar Surface Area: 75.6 Å^2
• Rotatable Bonds: 2