2-(4-{imidazo[1,2-a]pyridine-6-carbonyl}piperazin-1-yl)pyrazine

• ChemBase ID: 355098
• Molecular Formular: C16H16N6O
• Molecular Mass: 308.33784
• Monoisotopic Mass: 308.13855916
• SMILES: c1(C(=O)N2CCN(c3nccnc3)CC2)cn2c(ncc2)cc1
• Canonical SMILES: O=C(c1ccc2n(c1)ccn2)N1CCN(CC1)c1cnccn1
• InChI: InChI=1S/C16H16N6O/c23-16(13-1-2-14-19-5-6-22(14)12-13)21-9-7-20(8-10-21)15-11-17-3-4-18-15/h1-6,11-12H,7-10H2
• InChIKey: QCUFPSVIJUOCQV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-{imidazo[1,2-a]pyridine-6-carbonyl}piperazin-1-yl)pyrazine
• IUPAC Traditional name: 2-(4-{imidazo[1,2-a]pyridine-6-carbonyl}piperazin-1-yl)pyrazine
• Synonyms: 6-[(4-pyrazin-2-ylpiperazin-1-yl)carbonyl]imidazo[1,2-a]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -0.67253125
• LogD (pH = 7.4): -0.06951315
• Log P: -0.045105685
• Molar Refractivity: 87.3565 cm^3
• Polarizability: 31.721455 Å^3
• Polar Surface Area: 66.63 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: -0.68
• LOG S: -2.18
• Polar Surface Area: 66.63 Å^2
• Rotatable Bonds: 2