7-[(4-hydroxy-6-methylquinolin-2-yl)methyl]-N,N,2-trimethyl-5H,6H,7H,8H-imidazo[1,2-a]pyrazine-3-carboxamide

• ChemBase ID: 849285
• Molecular Formular: C21H25N5O2
• Molecular Mass: 379.4555
• Monoisotopic Mass: 379.20082507
• SMILES: c1(n2c(nc1C)CN(Cc1nc3c(c(c1)O)cc(cc3)C)CC2)C(=O)N(C)C
• Canonical SMILES: Cc1ccc2c(c1)c(O)cc(n2)CN1CCn2c(C1)nc(c2C(=O)N(C)C)C
• InChI: InChI=1S/C21H25N5O2/c1-13-5-6-17-16(9-13)18(27)10-15(23-17)11-25-7-8-26-19(12-25)22-14(2)20(26)21(28)24(3)4/h5-6,9-10H,7-8,11-12H2,1-4H3,(H,23,27)
• InChIKey: YVODYBCHIRIIOZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-[(4-hydroxy-6-methylquinolin-2-yl)methyl]-N,N,2-trimethyl-5H,6H,7H,8H-imidazo[1,2-a]pyrazine-3-carboxamide
• IUPAC Traditional name: 7-[(4-hydroxy-6-methylquinolin-2-yl)methyl]-N,N,2-trimethyl-5H,6H,8H-imidazo[1,2-a]pyrazine-3-carboxamide
• Synonyms: 7-[(4-hydroxy-6-methylquinolin-2-yl)methyl]-N,N,2-trimethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.241883
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.4160535
• LogD (pH = 7.4): 1.4433155
• Log P: 1.4443096
• Molar Refractivity: 108.1848 cm^3
• Polarizability: 42.081165 Å^3
• Polar Surface Area: 74.49 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 1.28
• LOG S: -3.06
• Polar Surface Area: 74.49 Å^2
• Rotatable Bonds: 3