6-[6-oxo-7-(propan-2-yl)-2,7-diazaspiro[4.5]decan-2-yl]pyrazine-2-carboxamide

• ChemBase ID: 479199
• Molecular Formular: C16H23N5O2
• Molecular Mass: 317.38612
• Monoisotopic Mass: 317.185175
• SMILES: C12(C(=O)N(C(C)C)CCC2)CN(c2nc(C(=O)N)cnc2)CC1
• Canonical SMILES: CC(N1CCCC2(C1=O)CCN(C2)c1cncc(n1)C(=O)N)C
• InChI: InChI=1S/C16H23N5O2/c1-11(2)21-6-3-4-16(15(21)23)5-7-20(10-16)13-9-18-8-12(19-13)14(17)22/h8-9,11H,3-7,10H2,1-2H3,(H2,17,22)
• InChIKey: FCYLDEAFIREINK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-[6-oxo-7-(propan-2-yl)-2,7-diazaspiro[4.5]decan-2-yl]pyrazine-2-carboxamide
• IUPAC Traditional name: 6-{7-isopropyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl}pyrazine-2-carboxamide
• Synonyms: 6-(7-isopropyl-6-oxo-2,7-diazaspiro[4.5]dec-2-yl)-2-pyrazinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.1959915
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.20218363
• LogD (pH = 7.4): 0.2021856
• Log P: 0.20218499
• Molar Refractivity: 86.973 cm^3
• Polarizability: 32.57152 Å^3
• Polar Surface Area: 92.42 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.16
• LOG S: -2.5
• Polar Surface Area: 92.42 Å^2
• Rotatable Bonds: 3