2-amino-N-[1-benzyl-4-(morpholin-4-yl)-1H-indazol-3-yl]acetamide

• ChemBase ID: 866103
• Molecular Formular: C20H23N5O2
• Molecular Mass: 365.42892
• Monoisotopic Mass: 365.185175
• SMILES: c1(c2c(n(n1)Cc1ccccc1)cccc2N1CCOCC1)NC(=O)CN
• Canonical SMILES: NCC(=O)Nc1nn(c2c1c(ccc2)N1CCOCC1)Cc1ccccc1
• InChI: InChI=1S/C20H23N5O2/c21-13-18(26)22-20-19-16(24-9-11-27-12-10-24)7-4-8-17(19)25(23-20)14-15-5-2-1-3-6-15/h1-8H,9-14,21H2,(H,22,23,26)
• InChIKey: FHSFEYPPJCNXID-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-N-[1-benzyl-4-(morpholin-4-yl)-1H-indazol-3-yl]acetamide
• IUPAC Traditional name: 2-amino-N-[1-benzyl-4-(morpholin-4-yl)indazol-3-yl]acetamide
• Synonyms: N~1~-(1-benzyl-4-morpholin-4-yl-1H-indazol-3-yl)glycinamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.165103
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -0.42984945
• LogD (pH = 7.4): 1.2643783
• Log P: 1.9420383
• Molar Refractivity: 117.941 cm^3
• Polarizability: 40.869568 Å^3
• Polar Surface Area: 85.41 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 0.72
• LOG S: -2.48
• Polar Surface Area: 85.41 Å^2
• Rotatable Bonds: 5