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

• ChemBase ID: 323176
• Molecular Formular: C21H27N5O2
• Molecular Mass: 381.47138
• Monoisotopic Mass: 381.21647513
• SMILES: c1(n2c(nc1C)CN(C(=O)Nc1c3c(ccc1)CCCC3)CC2)C(=O)N(C)C
• Canonical SMILES: O=C(N1CCn2c(C1)nc(c2C(=O)N(C)C)C)Nc1cccc2c1CCCC2
• InChI: InChI=1S/C21H27N5O2/c1-14-19(20(27)24(2)3)26-12-11-25(13-18(26)22-14)21(28)23-17-10-6-8-15-7-4-5-9-16(15)17/h6,8,10H,4-5,7,9,11-13H2,1-3H3,(H,23,28)
• InChIKey: IQPDTSVQHNRBJK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.456795
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.838884
• LogD (pH = 7.4): 1.8574587
• Log P: 1.8577014
• Molar Refractivity: 110.0362 cm^3
• Polarizability: 40.48849 Å^3
• Polar Surface Area: 70.47 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.29
• LOG S: -3.08
• Polar Surface Area: 70.47 Å^2
• Rotatable Bonds: 2