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

• ChemBase ID: 768706
• Molecular Formular: C20H18N6O2
• Molecular Mass: 374.39592
• Monoisotopic Mass: 374.14912385
• SMILES: c1(nn2c(c1)CN(c1c3c(occ3)ccn1)CC2)C(=O)NCc1ncccc1
• Canonical SMILES: O=C(c1cc2n(n1)CCN(C2)c1nccc2c1cco2)NCc1ccccn1
• InChI: InChI=1S/C20H18N6O2/c27-20(23-12-14-3-1-2-6-21-14)17-11-15-13-25(8-9-26(15)24-17)19-16-5-10-28-18(16)4-7-22-19/h1-7,10-11H,8-9,12-13H2,(H,23,27)
• InChIKey: CDSAHNICCRPFER-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.90138
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.3334149
• LogD (pH = 7.4): 1.5626508
• Log P: 1.5664468
• Molar Refractivity: 114.4454 cm^3
• Polarizability: 39.447937 Å^3
• Polar Surface Area: 89.08 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 1.59
• LOG S: -1.99
• Polar Surface Area: 89.08 Å^2
• Rotatable Bonds: 4