8-(1H-indazole-3-carbonyl)-2-(3-methoxypropyl)-2,8-diazaspiro[4.5]decan-3-one

• ChemBase ID: 747652
• Molecular Formular: C20H26N4O3
• Molecular Mass: 370.44544
• Monoisotopic Mass: 370.20049071
• SMILES: c1(n[nH]c2c1cccc2)C(=O)N1CCC2(CN(C(=O)C2)CCCOC)CC1
• Canonical SMILES: COCCCN1CC2(CC1=O)CCN(CC2)C(=O)c1n[nH]c2c1cccc2
• InChI: InChI=1S/C20H26N4O3/c1-27-12-4-9-24-14-20(13-17(24)25)7-10-23(11-8-20)19(26)18-15-5-2-3-6-16(15)21-22-18/h2-3,5-6H,4,7-14H2,1H3,(H,21,22)
• InChIKey: QPQZYCQPYHSWRD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-(1H-indazole-3-carbonyl)-2-(3-methoxypropyl)-2,8-diazaspiro[4.5]decan-3-one
• IUPAC Traditional name: 8-(1H-indazole-3-carbonyl)-2-(3-methoxypropyl)-2,8-diazaspiro[4.5]decan-3-one
• Synonyms: 8-(1H-indazol-3-ylcarbonyl)-2-(3-methoxypropyl)-2,8-diazaspiro[4.5]decan-3-one

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.19877
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.43310022
• LogD (pH = 7.4): 0.4324365
• Log P: 0.43310934
• Molar Refractivity: 103.0429 cm^3
• Polarizability: 40.03024 Å^3
• Polar Surface Area: 78.53 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: 0.04
• LOG S: -3.25
• Polar Surface Area: 78.53 Å^2
• Rotatable Bonds: 5