7-(1,2,3,4-tetrahydroquinoline-8-carbonyl)-5H,6H,7H,8H-imidazo[1,2-a]pyrazine-3-carboxamide

• ChemBase ID: 764638
• Molecular Formular: C17H19N5O2
• Molecular Mass: 325.36506
• Monoisotopic Mass: 325.15387487
• SMILES: c1(n2c(nc1)CN(C(=O)c1c3NCCCc3ccc1)CC2)C(=O)N
• Canonical SMILES: O=C(c1cccc2c1NCCC2)N1CCn2c(C1)ncc2C(=O)N
• InChI: InChI=1S/C17H19N5O2/c18-16(23)13-9-20-14-10-21(7-8-22(13)14)17(24)12-5-1-3-11-4-2-6-19-15(11)12/h1,3,5,9,19H,2,4,6-8,10H2,(H2,18,23)
• InChIKey: XNXBVVLQGOKIFF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-(1,2,3,4-tetrahydroquinoline-8-carbonyl)-5H,6H,7H,8H-imidazo[1,2-a]pyrazine-3-carboxamide
• IUPAC Traditional name: 7-(1,2,3,4-tetrahydroquinoline-8-carbonyl)-5H,6H,8H-imidazo[1,2-a]pyrazine-3-carboxamide
• Synonyms: 7-(1,2,3,4-tetrahydroquinolin-8-ylcarbonyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.8725605
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.35052377
• LogD (pH = 7.4): 0.38004497
• Log P: 0.38043562
• Molar Refractivity: 91.8122 cm^3
• Polarizability: 33.101196 Å^3
• Polar Surface Area: 93.25 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 0.84
• LOG S: -2.29
• Polar Surface Area: 93.25 Å^2
• Rotatable Bonds: 2