N-[4-(morpholin-4-ylmethyl)phenyl]-1H-indazole-3-carboxamide

• ChemBase ID: 495607
• Molecular Formular: C19H20N4O2
• Molecular Mass: 336.3877
• Monoisotopic Mass: 336.1586259
• SMILES: c1(n[nH]c2c1cccc2)C(=O)Nc1ccc(CN2CCOCC2)cc1
• Canonical SMILES: O=C(c1n[nH]c2c1cccc2)Nc1ccc(cc1)CN1CCOCC1
• InChI: InChI=1S/C19H20N4O2/c24-19(18-16-3-1-2-4-17(16)21-22-18)20-15-7-5-14(6-8-15)13-23-9-11-25-12-10-23/h1-8H,9-13H2,(H,20,24)(H,21,22)
• InChIKey: JSFFESUEQFNIQK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[4-(morpholin-4-ylmethyl)phenyl]-1H-indazole-3-carboxamide
• IUPAC Traditional name: N-[4-(morpholin-4-ylmethyl)phenyl]-1H-indazole-3-carboxamide
• Synonyms: N-[4-(4-morpholinylmethyl)phenyl]-1H-indazole-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.832482
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.1351708
• LogD (pH = 7.4): 2.3885462
• Log P: 2.4969392
• Molar Refractivity: 98.8518 cm^3
• Polarizability: 37.96427 Å^3
• Polar Surface Area: 70.25 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: 2.75
• LOG S: -4.0
• Polar Surface Area: 70.25 Å^2
• Rotatable Bonds: 4