7-[2-(phenylformamido)acetyl]-5H,6H,7H,8H-imidazo[1,2-a]pyrazine-3-carboxamide

• ChemBase ID: 838060
• Molecular Formular: C16H17N5O3
• Molecular Mass: 327.33788
• Monoisotopic Mass: 327.13313943
• SMILES: c1(n2c(nc1)CN(C(=O)CNC(=O)c1ccccc1)CC2)C(=O)N
• Canonical SMILES: O=C(N1CCn2c(C1)ncc2C(=O)N)CNC(=O)c1ccccc1
• InChI: InChI=1S/C16H17N5O3/c17-15(23)12-8-18-13-10-20(6-7-21(12)13)14(22)9-19-16(24)11-4-2-1-3-5-11/h1-5,8H,6-7,9-10H2,(H2,17,23)(H,19,24)
• InChIKey: QDTWJXCRUGVWKC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-[2-(phenylformamido)acetyl]-5H,6H,7H,8H-imidazo[1,2-a]pyrazine-3-carboxamide
• IUPAC Traditional name: 7-[2-(phenylformamido)acetyl]-5H,6H,8H-imidazo[1,2-a]pyrazine-3-carboxamide
• Synonyms: 7-[(benzoylamino)acetyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.837669
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -1.3606194
• LogD (pH = 7.4): -1.3324562
• Log P: -1.3320829
• Molar Refractivity: 86.5113 cm^3
• Polarizability: 32.17498 Å^3
• Polar Surface Area: 110.32 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: -0.61
• LOG S: -2.37
• Polar Surface Area: 110.32 Å^2
• Rotatable Bonds: 4