N-[2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]-5H,6H,7H,8H-imidazo[1,2-a]pyrazine-2-carboxamide

• ChemBase ID: 713809
• Molecular Formular: C16H23N5OS
• Molecular Mass: 333.45172
• Monoisotopic Mass: 333.16233138
• SMILES: c1(nc2n(c1)CCNC2)C(=O)NCC(c1c(ccs1)C)N(C)C
• Canonical SMILES: CN(C(c1sccc1C)CNC(=O)c1cn2c(n1)CNCC2)C
• InChI: InChI=1S/C16H23N5OS/c1-11-4-7-23-15(11)13(20(2)3)8-18-16(22)12-10-21-6-5-17-9-14(21)19-12/h4,7,10,13,17H,5-6,8-9H2,1-3H3,(H,18,22)
• InChIKey: CRTANXNUABRJDJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]-5H,6H,7H,8H-imidazo[1,2-a]pyrazine-2-carboxamide
• IUPAC Traditional name: N-[2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]-5H,6H,7H,8H-imidazo[1,2-a]pyrazine-2-carboxamide
• Synonyms: N-[2-(dimethylamino)-2-(3-methyl-2-thienyl)ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.292609
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -2.5787115
• LogD (pH = 7.4): 0.24416679
• Log P: 1.2277963
• Molar Refractivity: 92.3516 cm^3
• Polarizability: 35.134193 Å^3
• Polar Surface Area: 62.19 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 0.62
• LOG S: -2.16
• Polar Surface Area: 62.19 Å^2
• Rotatable Bonds: 5