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

• ChemBase ID: 316384
• Molecular Formular: C17H17N5O3
• Molecular Mass: 339.34858
• Monoisotopic Mass: 339.13313943
• SMILES: c1(n2c(nc1)CN(C(=O)C(=O)N1c3c(CC1)cccc3)CC2)C(=O)N
• Canonical SMILES: O=C(N1CCc2c1cccc2)C(=O)N1CCn2c(C1)ncc2C(=O)N
• InChI: InChI=1S/C17H17N5O3/c18-15(23)13-9-19-14-10-20(7-8-21(13)14)16(24)17(25)22-6-5-11-3-1-2-4-12(11)22/h1-4,9H,5-8,10H2,(H2,18,23)
• InChIKey: GCOXNUXMWGZSFQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.872556
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.81164086
• LogD (pH = 7.4): -0.78349656
• Log P: -0.7831235
• Molar Refractivity: 89.535 cm^3
• Polarizability: 33.48397 Å^3
• Polar Surface Area: 101.53 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.94
• LOG S: -2.48
• Polar Surface Area: 101.53 Å^2
• Rotatable Bonds: 2