N7-(3-methoxyphenyl)-2,N3,N3-trimethyl-5H,6H,7H,8H-imidazo[1,2-a]pyrazine-3,7-dicarboxamide

• ChemBase ID: 652969
• Molecular Formular: C18H23N5O3
• Molecular Mass: 357.40692
• Monoisotopic Mass: 357.18008962
• SMILES: c1(n2c(nc1C)CN(C(=O)Nc1cc(OC)ccc1)CC2)C(=O)N(C)C
• Canonical SMILES: COc1cccc(c1)NC(=O)N1CCn2c(C1)nc(c2C(=O)N(C)C)C
• InChI: InChI=1S/C18H23N5O3/c1-12-16(17(24)21(2)3)23-9-8-22(11-15(23)19-12)18(25)20-13-6-5-7-14(10-13)26-4/h5-7,10H,8-9,11H2,1-4H3,(H,20,25)
• InChIKey: ZIRCINPLQASALE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N7-(3-methoxyphenyl)-2,N3,N3-trimethyl-5H,6H,7H,8H-imidazo[1,2-a]pyrazine-3,7-dicarboxamide
• IUPAC Traditional name: N7-(3-methoxyphenyl)-2,N3,N3-trimethyl-5H,6H,8H-imidazo[1,2-a]pyrazine-3,7-dicarboxamide
• Synonyms: N~7~-(3-methoxyphenyl)-N~3~,N~3~,2-trimethyl-5,6-dihydroimidazo[1,2-a]pyrazine-3,7(8H)-dicarboxamide

CALCULATED PROPERTIES

供应商提供(Chembridge)

• Polar Surface Area: 79.7 Å^2
• Rotatable Bonds: 3
• H Acceptors: 4
• H Donor: 1
• Log P: 0.02
• LOG S: -3.13

JChem

• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• Acid pKa: 12.951981
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.22895855
• LogD (pH = 7.4): 0.2475324
• Log P: 0.2477759
• Molar Refractivity: 99.0172 cm^3
• Polarizability: 36.55556 Å^3
• Polar Surface Area: 79.7 Å^2