N-[2,2-dimethyl-3-(morpholin-4-yl)propyl]-1H-indazol-5-amine

• ChemBase ID: 734800
• Molecular Formular: C16H24N4O
• Molecular Mass: 288.38796
• Monoisotopic Mass: 288.19501141
• SMILES: n1[nH]c2c(c1)cc(NCC(CN1CCOCC1)(C)C)cc2
• Canonical SMILES: CC(CN1CCOCC1)(CNc1ccc2c(c1)cn[nH]2)C
• InChI: InChI=1S/C16H24N4O/c1-16(2,12-20-5-7-21-8-6-20)11-17-14-3-4-15-13(9-14)10-18-19-15/h3-4,9-10,17H,5-8,11-12H2,1-2H3,(H,18,19)
• InChIKey: ODROXSHNTVIDII-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2,2-dimethyl-3-(morpholin-4-yl)propyl]-1H-indazol-5-amine
• IUPAC Traditional name: N-[2,2-dimethyl-3-(morpholin-4-yl)propyl]-1H-indazol-5-amine
• Synonyms: N-[2,2-dimethyl-3-(4-morpholinyl)propyl]-1H-indazol-5-amine

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.400353
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.28201094
• LogD (pH = 7.4): 1.3067398
• Log P: 1.6008648
• Molar Refractivity: 86.9852 cm^3
• Polarizability: 33.854748 Å^3
• Polar Surface Area: 53.18 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 3.1
• LOG S: -2.94
• Polar Surface Area: 53.18 Å^2
• Rotatable Bonds: 5