7-{pyrazolo[1,5-a]pyridine-3-carbonyl}-5H,6H,7H,8H-imidazo[1,2-a]pyrazine-3-carboxamide

• ChemBase ID: 841122
• Molecular Formular: C15H14N6O2
• Molecular Mass: 310.31066
• Monoisotopic Mass: 310.11782372
• SMILES: c1(C(=O)N2Cc3n(c(cn3)C(=O)N)CC2)c2n(nc1)cccc2
• Canonical SMILES: O=C(c1cnn2c1cccc2)N1CCn2c(C1)ncc2C(=O)N
• InChI: InChI=1S/C15H14N6O2/c16-14(22)12-8-17-13-9-19(5-6-20(12)13)15(23)10-7-18-21-4-2-1-3-11(10)21/h1-4,7-8H,5-6,9H2,(H2,16,22)
• InChIKey: YMKBLPWFIOFOJY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-{pyrazolo[1,5-a]pyridine-3-carbonyl}-5H,6H,7H,8H-imidazo[1,2-a]pyrazine-3-carboxamide
• IUPAC Traditional name: 7-{pyrazolo[1,5-a]pyridine-3-carbonyl}-5H,6H,8H-imidazo[1,2-a]pyrazine-3-carboxamide
• Synonyms: 7-(pyrazolo[1,5-a]pyridin-3-ylcarbonyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.8725605
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.72539395
• LogD (pH = 7.4): -0.69723576
• Log P: -0.6968625
• Molar Refractivity: 93.6277 cm^3
• Polarizability: 30.881084 Å^3
• Polar Surface Area: 98.52 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.1
• LOG S: -2.86
• Polar Surface Area: 98.52 Å^2
• Rotatable Bonds: 2