N-[(1S,2R)-2-aminocyclobutyl]-1H-indazole-3-carboxamide

• ChemBase ID: 496794
• Molecular Formular: C12H14N4O
• Molecular Mass: 230.26576
• Monoisotopic Mass: 230.11676109
• SMILES: c1(n[nH]c2c1cccc2)C(=O)N[C@@H]1[C@@H](CC1)N
• Canonical SMILES: N[C@@H]1CC[C@@H]1NC(=O)c1n[nH]c2c1cccc2
• InChI: InChI=1S/C12H14N4O/c13-8-5-6-10(8)14-12(17)11-7-3-1-2-4-9(7)15-16-11/h1-4,8,10H,5-6,13H2,(H,14,17)(H,15,16)/t8-,10+/m1/s1
• InChIKey: JJFPOIZRMLXDBB-SCZZXKLOSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(1S,2R)-2-aminocyclobutyl]-1H-indazole-3-carboxamide
• IUPAC Traditional name: N-[(1S,2R)-2-aminocyclobutyl]-1H-indazole-3-carboxamide
• Synonyms: N-[(1S*,2R*)-2-aminocyclobutyl]-1H-indazole-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.26558
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -2.46997
• LogD (pH = 7.4): -1.3319584
• Log P: -0.042480834
• Molar Refractivity: 64.5074 cm^3
• Polarizability: 25.648066 Å^3
• Polar Surface Area: 83.8 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 3
• Log P: -0.32
• LOG S: -1.92
• Polar Surface Area: 83.8 Å^2
• Rotatable Bonds: 2