N-(1-ethyl-1H-indazol-3-yl)-2-[4-(1-methyl-1H-imidazol-2-yl)-1H-pyrazol-1-yl]acetamide

• ChemBase ID: 831698
• Molecular Formular: C18H19N7O
• Molecular Mass: 349.38976
• Monoisotopic Mass: 349.16510826
• SMILES: c1(nn(c2c1cccc2)CC)NC(=O)Cn1ncc(c2n(ccn2)C)c1
• Canonical SMILES: CCn1nc(c2c1cccc2)NC(=O)Cn1ncc(c1)c1nccn1C
• InChI: InChI=1S/C18H19N7O/c1-3-25-15-7-5-4-6-14(15)17(22-25)21-16(26)12-24-11-13(10-20-24)18-19-8-9-23(18)2/h4-11H,3,12H2,1-2H3,(H,21,22,26)
• InChIKey: YQUGCJAIGVQQJZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1-ethyl-1H-indazol-3-yl)-2-[4-(1-methyl-1H-imidazol-2-yl)-1H-pyrazol-1-yl]acetamide
• IUPAC Traditional name: N-(1-ethylindazol-3-yl)-2-[4-(1-methylimidazol-2-yl)pyrazol-1-yl]acetamide
• Synonyms: N-(1-ethyl-1H-indazol-3-yl)-2-[4-(1-methyl-1H-imidazol-2-yl)-1H-pyrazol-1-yl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.127942
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.4522945
• LogD (pH = 7.4): 1.8322608
• Log P: 1.8413708
• Molar Refractivity: 132.5696 cm^3
• Polarizability: 38.37534 Å^3
• Polar Surface Area: 82.56 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: 1.78
• LOG S: -3.27
• Polar Surface Area: 82.56 Å^2
• Rotatable Bonds: 5