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

• ChemBase ID: 838898
• Molecular Formular: C23H26N4O3
• Molecular Mass: 406.47754
• Monoisotopic Mass: 406.20049071
• SMILES: c1(nn(c2c1c(N1CCOCC1)ccc2)c1ccc(cc1)OC)NC(=O)C1CCC1
• Canonical SMILES: COc1ccc(cc1)n1nc(c2c1cccc2N1CCOCC1)NC(=O)C1CCC1
• InChI: InChI=1S/C23H26N4O3/c1-29-18-10-8-17(9-11-18)27-20-7-3-6-19(26-12-14-30-15-13-26)21(20)22(25-27)24-23(28)16-4-2-5-16/h3,6-11,16H,2,4-5,12-15H2,1H3,(H,24,25,28)
• InChIKey: JETZBKZDILLZQV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.301086
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 3.8663416
• LogD (pH = 7.4): 3.8662953
• Log P: 3.866347
• Molar Refractivity: 117.8904 cm^3
• Polarizability: 45.570324 Å^3
• Polar Surface Area: 68.62 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.85
• LOG S: -4.6
• Polar Surface Area: 68.62 Å^2
• Rotatable Bonds: 5