7-(6-oxo-1-propylpiperidine-3-carbonyl)-5H,6H,7H,8H-imidazo[1,2-a]pyrazine-3-carboxamide

• ChemBase ID: 604053
• Molecular Formular: C16H23N5O3
• Molecular Mass: 333.38552
• Monoisotopic Mass: 333.18008962
• SMILES: c1(n2c(nc1)CN(C(=O)C1CN(C(=O)CC1)CCC)CC2)C(=O)N
• Canonical SMILES: CCCN1CC(CCC1=O)C(=O)N1CCn2c(C1)ncc2C(=O)N
• InChI: InChI=1S/C16H23N5O3/c1-2-5-19-9-11(3-4-14(19)22)16(24)20-6-7-21-12(15(17)23)8-18-13(21)10-20/h8,11H,2-7,9-10H2,1H3,(H2,17,23)
• InChIKey: IWTWLZPYOUOTHY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-(6-oxo-1-propylpiperidine-3-carbonyl)-5H,6H,7H,8H-imidazo[1,2-a]pyrazine-3-carboxamide
• IUPAC Traditional name: 7-(6-oxo-1-propylpiperidine-3-carbonyl)-5H,6H,8H-imidazo[1,2-a]pyrazine-3-carboxamide
• Synonyms: 7-[(6-oxo-1-propylpiperidin-3-yl)carbonyl]-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): -1.5395483
• LogD (pH = 7.4): -1.511384
• Log P: -1.5110106
• Molar Refractivity: 87.5077 cm^3
• Polarizability: 33.131153 Å^3
• Polar Surface Area: 101.53 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: -0.6
• LOG S: -2.43
• Polar Surface Area: 101.53 Å^2
• Rotatable Bonds: 4