N-(2-{imidazo[1,2-a]pyridin-3-yl}ethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide

• ChemBase ID: 401320
• Molecular Formular: C16H18N6O
• Molecular Mass: 310.35372
• Monoisotopic Mass: 310.15420923
• SMILES: c1(nn2c(c1)CNCC2)C(=O)NCCc1n2c(nc1)cccc2
• Canonical SMILES: O=C(c1nn2c(c1)CNCC2)NCCc1cnc2n1cccc2
• InChI: InChI=1S/C16H18N6O/c23-16(14-9-13-10-17-6-8-22(13)20-14)18-5-4-12-11-19-15-3-1-2-7-21(12)15/h1-3,7,9,11,17H,4-6,8,10H2,(H,18,23)
• InChIKey: SOFVSCXJZHTBQF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-{imidazo[1,2-a]pyridin-3-yl}ethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide
• IUPAC Traditional name: N-(2-{imidazo[1,2-a]pyridin-3-yl}ethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide
• Synonyms: N-(2-imidazo[1,2-a]pyridin-3-ylethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.058882
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -2.7671814
• LogD (pH = 7.4): -0.59451413
• Log P: -0.34116486
• Molar Refractivity: 98.9549 cm^3
• Polarizability: 32.46485 Å^3
• Polar Surface Area: 76.25 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: -0.2
• LOG S: -2.6
• Polar Surface Area: 76.25 Å^2
• Rotatable Bonds: 4