2-[1'-(3,6-dimethylpyrazin-2-yl)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide

• ChemBase ID: 819168
• Molecular Formular: C19H21N5O2
• Molecular Mass: 351.40234
• Monoisotopic Mass: 351.16952494
• SMILES: C12(C(=O)N(c3c1cccc3)CC(=O)N)CN(c1nc(cnc1C)C)CC2
• Canonical SMILES: NC(=O)CN1c2ccccc2C2(C1=O)CCN(C2)c1nc(C)cnc1C
• InChI: InChI=1S/C19H21N5O2/c1-12-9-21-13(2)17(22-12)23-8-7-19(11-23)14-5-3-4-6-15(14)24(18(19)26)10-16(20)25/h3-6,9H,7-8,10-11H2,1-2H3,(H2,20,25)
• InChIKey: MXZJIXKTHKWPDR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[1'-(3,6-dimethylpyrazin-2-yl)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide
• IUPAC Traditional name: 2-[1'-(3,6-dimethylpyrazin-2-yl)-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide
• Synonyms: 2-[1'-(3,6-dimethyl-2-pyrazinyl)-2-oxospiro[indole-3,3'-pyrrolidin]-1(2H)-yl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.28733
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -0.027004551
• LogD (pH = 7.4): -0.026434027
• Log P: -0.026426751
• Molar Refractivity: 97.1342 cm^3
• Polarizability: 36.653072 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: 1.14
• LOG S: -2.74
• Polar Surface Area: 92.42 Å^2
• Rotatable Bonds: 3