N-(1H-indazol-6-yl)morpholine-4-carboxamide

• ChemBase ID: 538483
• Molecular Formular: C12H14N4O2
• Molecular Mass: 246.26516
• Monoisotopic Mass: 246.11167571
• SMILES: C(=O)(N1CCOCC1)Nc1cc2[nH]ncc2cc1
• Canonical SMILES: O=C(N1CCOCC1)Nc1ccc2c(c1)[nH]nc2
• InChI: InChI=1S/C12H14N4O2/c17-12(16-3-5-18-6-4-16)14-10-2-1-9-8-13-15-11(9)7-10/h1-2,7-8H,3-6H2,(H,13,15)(H,14,17)
• InChIKey: OQVVVWMEKHAXBA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1H-indazol-6-yl)morpholine-4-carboxamide
• IUPAC Traditional name: N-(1H-indazol-6-yl)morpholine-4-carboxamide
• Synonyms: N-1H-indazol-6-ylmorpholine-4-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.823577
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.42930305
• LogD (pH = 7.4): 0.429308
• Log P: 0.4293242
• Molar Refractivity: 68.4807 cm^3
• Polarizability: 26.142801 Å^3
• Polar Surface Area: 70.25 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: -0.03
• LOG S: -2.28
• Polar Surface Area: 70.25 Å^2
• Rotatable Bonds: 1