N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

• ChemBase ID: 693263
• Molecular Formular: C13H13N7O
• Molecular Mass: 283.28862
• Monoisotopic Mass: 283.11815807
• SMILES: c1(nc2n(n1)cccn2)C(=O)Nc1n2c(nc1)CCCC2
• Canonical SMILES: O=C(c1nn2c(n1)nccc2)Nc1cnc2n1CCCC2
• InChI: InChI=1S/C13H13N7O/c21-12(11-17-13-14-5-3-7-20(13)18-11)16-10-8-15-9-4-1-2-6-19(9)10/h3,5,7-8H,1-2,4,6H2,(H,16,21)
• InChIKey: NYFAMNBMGRIQAP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.544564
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.33920234
• LogD (pH = 7.4): 0.9816942
• Log P: 1.0120906
• Molar Refractivity: 87.8411 cm^3
• Polarizability: 27.517056 Å^3
• Polar Surface Area: 90.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: -0.05
• LOG S: -2.53
• Polar Surface Area: 90.0 Å^2
• Rotatable Bonds: 2