7-(cyclopropylmethyl)-2-(1H-indazole-3-carbonyl)-2,7-diazaspiro[4.5]decane

• ChemBase ID: 401531
• Molecular Formular: C20H26N4O
• Molecular Mass: 338.44664
• Monoisotopic Mass: 338.21066147
• SMILES: c1(n[nH]c2c1cccc2)C(=O)N1CC2(CN(CC3CC3)CCC2)CC1
• Canonical SMILES: O=C(c1n[nH]c2c1cccc2)N1CCC2(C1)CCCN(C2)CC1CC1
• InChI: InChI=1S/C20H26N4O/c25-19(18-16-4-1-2-5-17(16)21-22-18)24-11-9-20(14-24)8-3-10-23(13-20)12-15-6-7-15/h1-2,4-5,15H,3,6-14H2,(H,21,22)
• InChIKey: SFSSTOIPJYAXES-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-(cyclopropylmethyl)-2-(1H-indazole-3-carbonyl)-2,7-diazaspiro[4.5]decane
• IUPAC Traditional name: 7-(cyclopropylmethyl)-2-(1H-indazole-3-carbonyl)-2,7-diazaspiro[4.5]decane
• Synonyms: 7-(cyclopropylmethyl)-2-(1H-indazol-3-ylcarbonyl)-2,7-diazaspiro[4.5]decane

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.277719
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.0734122
• LogD (pH = 7.4): 0.22074082
• Log P: 1.9832305
• Molar Refractivity: 99.2965 cm^3
• Polarizability: 38.933723 Å^3
• Polar Surface Area: 52.23 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.7
• LOG S: -4.45
• Polar Surface Area: 52.23 Å^2
• Rotatable Bonds: 3