6-{[1-(2,3-dihydro-1H-inden-2-yl)-5-oxopyrrolidin-3-yl]amino}-N,N-dimethylpyrazine-2-carboxamide

• ChemBase ID: 705689
• Molecular Formular: C20H23N5O2
• Molecular Mass: 365.42892
• Monoisotopic Mass: 365.185175
• SMILES: N1(C(=O)CC(C1)Nc1nc(C(=O)N(C)C)cnc1)C1Cc2c(C1)cccc2
• Canonical SMILES: O=C1CC(CN1C1Cc2c(C1)cccc2)Nc1cncc(n1)C(=O)N(C)C
• InChI: InChI=1S/C20H23N5O2/c1-24(2)20(27)17-10-21-11-18(23-17)22-15-9-19(26)25(12-15)16-7-13-5-3-4-6-14(13)8-16/h3-6,10-11,15-16H,7-9,12H2,1-2H3,(H,22,23)
• InChIKey: SFPQFIHXHUKBLT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-{[1-(2,3-dihydro-1H-inden-2-yl)-5-oxopyrrolidin-3-yl]amino}-N,N-dimethylpyrazine-2-carboxamide
• IUPAC Traditional name: 6-{[1-(2,3-dihydro-1H-inden-2-yl)-5-oxopyrrolidin-3-yl]amino}-N,N-dimethylpyrazine-2-carboxamide
• Synonyms: 6-{[1-(2,3-dihydro-1H-inden-2-yl)-5-oxopyrrolidin-3-yl]amino}-N,N-dimethylpyrazine-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.359877
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.6454168
• LogD (pH = 7.4): 0.645417
• Log P: 0.645417
• Molar Refractivity: 103.1995 cm^3
• Polarizability: 38.448696 Å^3
• Polar Surface Area: 78.43 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.29
• LOG S: -3.42
• Polar Surface Area: 78.43 Å^2
• Rotatable Bonds: 4