N-butyl-N-methyl-3-{[4-(pyrazin-2-yl)piperazin-1-yl]methyl}imidazo[1,2-a]pyridine-2-carboxamide

• ChemBase ID: 501100
• Molecular Formular: C22H29N7O
• Molecular Mass: 407.51196
• Monoisotopic Mass: 407.24335858
• SMILES: c1(c(n2c(n1)cccc2)CN1CCN(c2nccnc2)CC1)C(=O)N(CCCC)C
• Canonical SMILES: CCCCN(C(=O)c1nc2n(c1CN1CCN(CC1)c1cnccn1)cccc2)C
• InChI: InChI=1S/C22H29N7O/c1-3-4-10-26(2)22(30)21-18(29-11-6-5-7-19(29)25-21)17-27-12-14-28(15-13-27)20-16-23-8-9-24-20/h5-9,11,16H,3-4,10,12-15,17H2,1-2H3
• InChIKey: JZWINBJBDQVNET-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-butyl-N-methyl-3-{[4-(pyrazin-2-yl)piperazin-1-yl]methyl}imidazo[1,2-a]pyridine-2-carboxamide
• IUPAC Traditional name: N-butyl-N-methyl-3-{[4-(pyrazin-2-yl)piperazin-1-yl]methyl}imidazo[1,2-a]pyridine-2-carboxamide
• Synonyms: N-butyl-N-methyl-3-{[4-(2-pyrazinyl)-1-piperazinyl]methyl}imidazo[1,2-a]pyridine-2-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 0.50815606
• LogD (pH = 7.4): 1.4772674
• Log P: 1.5260415
• Molar Refractivity: 119.2783 cm^3
• Polarizability: 44.281464 Å^3
• Polar Surface Area: 69.87 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 1.06
• LOG S: -2.51
• Polar Surface Area: 69.87 Å^2
• Rotatable Bonds: 5