1-(2,6-dimethylpyridin-4-yl)-4-{7-methylimidazo[1,2-a]pyridine-2-carbonyl}piperazine

• ChemBase ID: 528824
• Molecular Formular: C20H23N5O
• Molecular Mass: 349.42952
• Monoisotopic Mass: 349.19026038
• SMILES: c1(nc2n(c1)ccc(c2)C)C(=O)N1CCN(c2cc(nc(c2)C)C)CC1
• Canonical SMILES: Cc1nc(C)cc(c1)N1CCN(CC1)C(=O)c1nc2n(c1)ccc(c2)C
• InChI: InChI=1S/C20H23N5O/c1-14-4-5-25-13-18(22-19(25)10-14)20(26)24-8-6-23(7-9-24)17-11-15(2)21-16(3)12-17/h4-5,10-13H,6-9H2,1-3H3
• InChIKey: GVQLNEFCXRFUHV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2,6-dimethylpyridin-4-yl)-4-{7-methylimidazo[1,2-a]pyridine-2-carbonyl}piperazine
• IUPAC Traditional name: 1-(2,6-dimethylpyridin-4-yl)-4-{7-methylimidazo[1,2-a]pyridine-2-carbonyl}piperazine
• Synonyms: 2-{[4-(2,6-dimethyl-4-pyridinyl)-1-piperazinyl]carbonyl}-7-methylimidazo[1,2-a]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.1760793
• LogD (pH = 7.4): 0.12798773
• Log P: 1.7401212
• Molar Refractivity: 103.0521 cm^3
• Polarizability: 37.89091 Å^3
• Polar Surface Area: 53.74 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: 1.9
• LOG S: -5.31
• Polar Surface Area: 53.74 Å^2
• Rotatable Bonds: 2