6-methyl-N-[1-(pyrazin-2-yl)piperidin-4-yl]imidazo[1,2-a]pyridine-2-carboxamide

• ChemBase ID: 829995
• Molecular Formular: C18H20N6O
• Molecular Mass: 336.391
• Monoisotopic Mass: 336.16985929
• SMILES: c1(nc2n(c1)cc(cc2)C)C(=O)NC1CCN(c2nccnc2)CC1
• Canonical SMILES: Cc1ccc2n(c1)cc(n2)C(=O)NC1CCN(CC1)c1cnccn1
• InChI: InChI=1S/C18H20N6O/c1-13-2-3-16-22-15(12-24(16)11-13)18(25)21-14-4-8-23(9-5-14)17-10-19-6-7-20-17/h2-3,6-7,10-12,14H,4-5,8-9H2,1H3,(H,21,25)
• InChIKey: LGIJNAJJSQMBAE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methyl-N-[1-(pyrazin-2-yl)piperidin-4-yl]imidazo[1,2-a]pyridine-2-carboxamide
• IUPAC Traditional name: 6-methyl-N-[1-(pyrazin-2-yl)piperidin-4-yl]imidazo[1,2-a]pyridine-2-carboxamide
• Synonyms: 6-methyl-N-[1-(2-pyrazinyl)-4-piperidinyl]imidazo[1,2-a]pyridine-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.771966
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.80099905
• LogD (pH = 7.4): 0.81005967
• Log P: 0.8101765
• Molar Refractivity: 96.53 cm^3
• Polarizability: 35.324036 Å^3
• Polar Surface Area: 75.42 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.4
• LOG S: -2.85
• Polar Surface Area: 75.42 Å^2
• Rotatable Bonds: 3