2-(3-methoxypyrazin-2-yl)-7-(propan-2-yl)-2,7-diazaspiro[4.5]decan-6-one

• ChemBase ID: 691157
• Molecular Formular: C16H24N4O2
• Molecular Mass: 304.38736
• Monoisotopic Mass: 304.18992603
• SMILES: C12(C(=O)N(C(C)C)CCC2)CN(c2c(nccn2)OC)CC1
• Canonical SMILES: COc1nccnc1N1CCC2(C1)CCCN(C2=O)C(C)C
• InChI: InChI=1S/C16H24N4O2/c1-12(2)20-9-4-5-16(15(20)21)6-10-19(11-16)13-14(22-3)18-8-7-17-13/h7-8,12H,4-6,9-11H2,1-3H3
• InChIKey: WUNSERXGILJEKA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3-methoxypyrazin-2-yl)-7-(propan-2-yl)-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 7-isopropyl-2-(3-methoxypyrazin-2-yl)-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 7-isopropyl-2-(3-methoxy-2-pyrazinyl)-2,7-diazaspiro[4.5]decan-6-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.4024278
• LogD (pH = 7.4): 1.40248
• Log P: 1.4024806
• Molar Refractivity: 85.0433 cm^3
• Polarizability: 32.22747 Å^3
• Polar Surface Area: 58.56 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.28
• LOG S: -3.37
• Polar Surface Area: 58.56 Å^2
• Rotatable Bonds: 3