N-[(4-chloro-1-methyl-1H-indazol-3-yl)methyl]-2-(morpholin-3-yl)acetamide

• ChemBase ID: 695292
• Molecular Formular: C15H19ClN4O2
• Molecular Mass: 322.78996
• Monoisotopic Mass: 322.11965355
• SMILES: n1c(c2c(n1C)cccc2Cl)CNC(=O)CC1NCCOC1
• Canonical SMILES: O=C(CC1COCCN1)NCc1nn(c2c1c(Cl)ccc2)C
• InChI: InChI=1S/C15H19ClN4O2/c1-20-13-4-2-3-11(16)15(13)12(19-20)8-18-14(21)7-10-9-22-6-5-17-10/h2-4,10,17H,5-9H2,1H3,(H,18,21)
• InChIKey: MWAJAAKCIICVCZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(4-chloro-1-methyl-1H-indazol-3-yl)methyl]-2-(morpholin-3-yl)acetamide
• IUPAC Traditional name: N-[(4-chloro-1-methylindazol-3-yl)methyl]-2-(morpholin-3-yl)acetamide
• Synonyms: N-[(4-chloro-1-methyl-1H-indazol-3-yl)methyl]-2-(3-morpholinyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.56489
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -1.6520907
• LogD (pH = 7.4): 0.06447792
• Log P: 0.6368453
• Molar Refractivity: 95.0673 cm^3
• Polarizability: 33.874863 Å^3
• Polar Surface Area: 68.18 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: -0.05
• LOG S: -2.82
• Polar Surface Area: 68.18 Å^2
• Rotatable Bonds: 4