N-(1-ethyl-1H-indazol-3-yl)-2-[3-(pyridin-2-yl)-1H-pyrazol-1-yl]acetamide

• ChemBase ID: 687666
• Molecular Formular: C19H18N6O
• Molecular Mass: 346.38582
• Monoisotopic Mass: 346.15420923
• SMILES: c1(nn(c2c1cccc2)CC)NC(=O)Cn1nc(cc1)c1ncccc1
• Canonical SMILES: CCn1nc(c2c1cccc2)NC(=O)Cn1ccc(n1)c1ccccn1
• InChI: InChI=1S/C19H18N6O/c1-2-25-17-9-4-3-7-14(17)19(23-25)21-18(26)13-24-12-10-16(22-24)15-8-5-6-11-20-15/h3-12H,2,13H2,1H3,(H,21,23,26)
• InChIKey: OJWJTYQOMYSXFQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1-ethyl-1H-indazol-3-yl)-2-[3-(pyridin-2-yl)-1H-pyrazol-1-yl]acetamide
• IUPAC Traditional name: N-(1-ethylindazol-3-yl)-2-[3-(pyridin-2-yl)pyrazol-1-yl]acetamide
• Synonyms: N-(1-ethyl-1H-indazol-3-yl)-2-(3-pyridin-2-yl-1H-pyrazol-1-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.127941
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.9126146
• LogD (pH = 7.4): 2.9125705
• Log P: 2.9126482
• Molar Refractivity: 121.8518 cm^3
• Polarizability: 39.61039 Å^3
• Polar Surface Area: 77.63 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.66
• LOG S: -4.0
• Polar Surface Area: 77.63 Å^2
• Rotatable Bonds: 5