N-[1-benzyl-4-(morpholin-4-yl)-1H-indazol-3-yl]pyridine-4-carboxamide

• ChemBase ID: 623168
• Molecular Formular: C24H23N5O2
• Molecular Mass: 413.47172
• Monoisotopic Mass: 413.185175
• SMILES: c1(c2c(n(n1)Cc1ccccc1)cccc2N1CCOCC1)NC(=O)c1ccncc1
• Canonical SMILES: O=C(c1ccncc1)Nc1nn(c2c1c(ccc2)N1CCOCC1)Cc1ccccc1
• InChI: InChI=1S/C24H23N5O2/c30-24(19-9-11-25-12-10-19)26-23-22-20(28-13-15-31-16-14-28)7-4-8-21(22)29(27-23)17-18-5-2-1-3-6-18/h1-12H,13-17H2,(H,26,27,30)
• InChIKey: GFMSXGRJFOGECK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-benzyl-4-(morpholin-4-yl)-1H-indazol-3-yl]pyridine-4-carboxamide
• IUPAC Traditional name: N-[1-benzyl-4-(morpholin-4-yl)indazol-3-yl]pyridine-4-carboxamide
• Synonyms: N-(1-benzyl-4-morpholin-4-yl-1H-indazol-3-yl)isonicotinamide

CALCULATED PROPERTIES

供应商提供(Chembridge)

• Log P: 2.59
• LOG S: -4.43
• Polar Surface Area: 72.28 Å^2
• Rotatable Bonds: 5
• H Acceptors: 4
• H Donor: 1

JChem

• Molar Refractivity: 133.0949 cm^3
• Polarizability: 46.177937 Å^3
• Polar Surface Area: 72.28 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true
• Acid pKa: 12.292886
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 3.5024462
• LogD (pH = 7.4): 3.5026622
• Log P: 3.5026703