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

• ChemBase ID: 850523
• Molecular Formular: C23H26N4O2
• Molecular Mass: 390.47814
• Monoisotopic Mass: 390.20557609
• SMILES: c1(c2c(n(n1)Cc1ccccc1)cccc2N1CCOCC1)NC(=O)C1CCC1
• Canonical SMILES: O=C(C1CCC1)Nc1nn(c2c1c(ccc2)N1CCOCC1)Cc1ccccc1
• InChI: InChI=1S/C23H26N4O2/c28-23(18-8-4-9-18)24-22-21-19(26-12-14-29-15-13-26)10-5-11-20(21)27(25-22)16-17-6-2-1-3-7-17/h1-3,5-7,10-11,18H,4,8-9,12-16H2,(H,24,25,28)
• InChIKey: HJQXDJDJQVWJMA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.320304
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 4.090522
• LogD (pH = 7.4): 4.090483
• Log P: 4.0905333
• Molar Refractivity: 126.5815 cm^3
• Polarizability: 44.142834 Å^3
• Polar Surface Area: 59.39 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.25
• LOG S: -4.82
• Polar Surface Area: 59.39 Å^2
• Rotatable Bonds: 5