2-[3-(3,4-difluorophenyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl]-N-(1-methyl-1H-pyrazol-4-yl)acetamide

• ChemBase ID: 470037
• Molecular Formular: C18H18F2N6O
• Molecular Mass: 372.3719264
• Monoisotopic Mass: 372.15101567
• SMILES: c12c(n[nH]c1CCN(C2)CC(=O)Nc1cn(nc1)C)c1cc(c(cc1)F)F
• Canonical SMILES: O=C(Nc1cnn(c1)C)CN1CCc2c(C1)c(n[nH]2)c1ccc(c(c1)F)F
• InChI: InChI=1S/C18H18F2N6O/c1-25-8-12(7-21-25)22-17(27)10-26-5-4-16-13(9-26)18(24-23-16)11-2-3-14(19)15(20)6-11/h2-3,6-8H,4-5,9-10H2,1H3,(H,22,27)(H,23,24)
• InChIKey: FPTDBJCSUGHOJD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[3-(3,4-difluorophenyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl]-N-(1-methyl-1H-pyrazol-4-yl)acetamide
• IUPAC Traditional name: 2-[3-(3,4-difluorophenyl)-1H,4H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl]-N-(1-methylpyrazol-4-yl)acetamide
• Synonyms: 2-[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]-N-(1-methyl-1H-pyrazol-4-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.434074
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.90979254
• LogD (pH = 7.4): 1.5872332
• Log P: 1.6086396
• Molar Refractivity: 110.0479 cm^3
• Polarizability: 36.73568 Å^3
• Polar Surface Area: 78.84 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: 1.71
• LOG S: -3.38
• Polar Surface Area: 78.84 Å^2
• Rotatable Bonds: 4