N-methyl-N-[(4-methyl-1H-imidazol-2-yl)methyl]-1H-indazole-3-carboxamide

• ChemBase ID: 480396
• Molecular Formular: C14H15N5O
• Molecular Mass: 269.3018
• Monoisotopic Mass: 269.12766013
• SMILES: c1(n[nH]c2c1cccc2)C(=O)N(Cc1nc(c[nH]1)C)C
• Canonical SMILES: Cc1c[nH]c(n1)CN(C(=O)c1n[nH]c2c1cccc2)C
• InChI: InChI=1S/C14H15N5O/c1-9-7-15-12(16-9)8-19(2)14(20)13-10-5-3-4-6-11(10)17-18-13/h3-7H,8H2,1-2H3,(H,15,16)(H,17,18)
• InChIKey: OCVKVKSCQSMZGA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-N-[(4-methyl-1H-imidazol-2-yl)methyl]-1H-indazole-3-carboxamide
• IUPAC Traditional name: N-methyl-N-[(4-methyl-1H-imidazol-2-yl)methyl]-1H-indazole-3-carboxamide
• Synonyms: N-methyl-N-[(4-methyl-1H-imidazol-2-yl)methyl]-1H-indazole-3-carboxamide

CALCULATED PROPERTIES

供应商提供(Chembridge)

• H Donor: 2
• Log P: 1.01
• LOG S: -3.67
• Polar Surface Area: 77.67 Å^2
• Rotatable Bonds: 3
• H Acceptors: 3

JChem

• LogD (pH = 5.5): 0.16238876
• LogD (pH = 7.4): 0.7708066
• Log P: 0.7906902
• Molar Refractivity: 76.0588 cm^3
• Polarizability: 29.337734 Å^3
• Polar Surface Area: 77.67 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• Acid pKa: 10.19428
• H Acceptors: 3
• H Donor: 2