2-methyl-3-{3-[1-({6-methylimidazo[1,2-a]pyridin-2-yl}methyl)-1H-pyrazol-3-yl]phenyl}pyrazine

• ChemBase ID: 523444
• Molecular Formular: C23H20N6
• Molecular Mass: 380.4451
• Monoisotopic Mass: 380.17494467
• SMILES: n12c(nc(c1)Cn1nc(cc1)c1cc(c3nccnc3C)ccc1)ccc(c2)C
• Canonical SMILES: Cc1ccc2n(c1)cc(n2)Cn1ccc(n1)c1cccc(c1)c1nccnc1C
• InChI: InChI=1S/C23H20N6/c1-16-6-7-22-26-20(14-28(22)13-16)15-29-11-8-21(27-29)18-4-3-5-19(12-18)23-17(2)24-9-10-25-23/h3-14H,15H2,1-2H3
• InChIKey: JRLJPLADCOSMGM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-3-{3-[1-({6-methylimidazo[1,2-a]pyridin-2-yl}methyl)-1H-pyrazol-3-yl]phenyl}pyrazine
• IUPAC Traditional name: 2-methyl-3-{3-[1-({6-methylimidazo[1,2-a]pyridin-2-yl}methyl)pyrazol-3-yl]phenyl}pyrazine
• Synonyms: 6-methyl-2-({3-[3-(3-methyl-2-pyrazinyl)phenyl]-1H-pyrazol-1-yl}methyl)imidazo[1,2-a]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.5296671
• LogD (pH = 7.4): 3.2415962
• Log P: 3.2689526
• Molar Refractivity: 123.7775 cm^3
• Polarizability: 45.16371 Å^3
• Polar Surface Area: 60.9 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.53
• LOG S: -4.99
• Polar Surface Area: 60.9 Å^2
• Rotatable Bonds: 4