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

• ChemBase ID: 581658
• Molecular Formular: C19H23N5O2
• Molecular Mass: 353.41822
• Monoisotopic Mass: 353.185175
• SMILES: c1(n2c(nc1)CN(C(=O)CN1CC(CC1)c1ccccc1)CC2)C(=O)N
• Canonical SMILES: O=C(N1CCn2c(C1)ncc2C(=O)N)CN1CCC(C1)c1ccccc1
• InChI: InChI=1S/C19H23N5O2/c20-19(26)16-10-21-17-12-23(8-9-24(16)17)18(25)13-22-7-6-15(11-22)14-4-2-1-3-5-14/h1-5,10,15H,6-9,11-13H2,(H2,20,26)
• InChIKey: LNOAYBCVXTVZTA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.872585
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.6738982
• LogD (pH = 7.4): -0.90611255
• Log P: -0.28490135
• Molar Refractivity: 98.5739 cm^3
• Polarizability: 37.36033 Å^3
• Polar Surface Area: 84.46 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.03
• LOG S: -2.66
• Polar Surface Area: 84.46 Å^2
• Rotatable Bonds: 4