7-[2-(5-methyl-2-oxo-2,3-dihydro-1H-indol-3-yl)acetyl]-5H,6H,7H,8H-imidazo[1,2-a]pyrazine-3-carboxamide

• ChemBase ID: 818594
• Molecular Formular: C18H19N5O3
• Molecular Mass: 353.37516
• Monoisotopic Mass: 353.14878949
• SMILES: c1(n2c(nc1)CN(C(=O)CC1C(=O)Nc3c1cc(cc3)C)CC2)C(=O)N
• Canonical SMILES: O=C1Nc2c(C1CC(=O)N1CCn3c(C1)ncc3C(=O)N)cc(cc2)C
• InChI: InChI=1S/C18H19N5O3/c1-10-2-3-13-11(6-10)12(18(26)21-13)7-16(24)22-4-5-23-14(17(19)25)8-20-15(23)9-22/h2-3,6,8,12H,4-5,7,9H2,1H3,(H2,19,25)(H,21,26)
• InChIKey: QHXUCGFYHHOXIV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-[2-(5-methyl-2-oxo-2,3-dihydro-1H-indol-3-yl)acetyl]-5H,6H,7H,8H-imidazo[1,2-a]pyrazine-3-carboxamide
• IUPAC Traditional name: 7-[2-(5-methyl-2-oxo-1,3-dihydroindol-3-yl)acetyl]-5H,6H,8H-imidazo[1,2-a]pyrazine-3-carboxamide
• Synonyms: 7-[(5-methyl-2-oxo-2,3-dihydro-1H-indol-3-yl)acetyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Polar Surface Area: 110.32 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• Acid pKa: 12.819595
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.6333812
• LogD (pH = 7.4): -0.60521847
• Log P: -0.6048436
• Molar Refractivity: 95.8606 cm^3
• Polarizability: 35.24009 Å^3

供应商提供(Chembridge)

• Polar Surface Area: 110.32 Å^2
• Rotatable Bonds: 3
• H Acceptors: 4
• H Donor: 2
• Log P: -0.3
• LOG S: -2.83