7-(6-ethyl-1,5-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonyl)-5H,6H,7H,8H-imidazo[1,2-a]pyrazine-3-carboxamide

• ChemBase ID: 698800
• Molecular Formular: C17H21N5O3
• Molecular Mass: 343.38034
• Monoisotopic Mass: 343.16443956
• SMILES: c1(c(=O)n(c(c(c1)C)CC)C)C(=O)N1Cc2n(c(cn2)C(=O)N)CC1
• Canonical SMILES: CCc1c(C)cc(c(=O)n1C)C(=O)N1CCn2c(C1)ncc2C(=O)N
• InChI: InChI=1S/C17H21N5O3/c1-4-12-10(2)7-11(16(24)20(12)3)17(25)21-5-6-22-13(15(18)23)8-19-14(22)9-21/h7-8H,4-6,9H2,1-3H3,(H2,18,23)
• InChIKey: CRJSMANGJPLUHE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-(6-ethyl-1,5-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonyl)-5H,6H,7H,8H-imidazo[1,2-a]pyrazine-3-carboxamide
• IUPAC Traditional name: 7-(6-ethyl-1,5-dimethyl-2-oxopyridine-3-carbonyl)-5H,6H,8H-imidazo[1,2-a]pyrazine-3-carboxamide
• Synonyms: 7-[(6-ethyl-1,5-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)carbonyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.8725605
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.0904123
• LogD (pH = 7.4): -1.0622641
• Log P: -1.061891
• Molar Refractivity: 94.035 cm^3
• Polarizability: 34.463463 Å^3
• Polar Surface Area: 101.53 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: -0.16
• LOG S: -2.87
• Polar Surface Area: 103.22 Å^2
• Rotatable Bonds: 3