N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}-2-(4-methylpiperazin-1-yl)propanamide

• ChemBase ID: 430204
• Molecular Formular: C15H25N5O
• Molecular Mass: 291.3919
• Monoisotopic Mass: 291.20591045
• SMILES: c1(n2c(nc1)CCCC2)NC(=O)C(N1CCN(CC1)C)C
• Canonical SMILES: CN1CCN(CC1)C(C(=O)Nc1cnc2n1CCCC2)C
• InChI: InChI=1S/C15H25N5O/c1-12(19-9-7-18(2)8-10-19)15(21)17-14-11-16-13-5-3-4-6-20(13)14/h11-12H,3-10H2,1-2H3,(H,17,21)
• InChIKey: VJFDAUYCZZBGBG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}-2-(4-methylpiperazin-1-yl)propanamide
• IUPAC Traditional name: N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}-2-(4-methylpiperazin-1-yl)propanamide
• Synonyms: 2-(4-methylpiperazin-1-yl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.351785
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.247207
• LogD (pH = 7.4): 0.06770711
• Log P: 0.5074719
• Molar Refractivity: 83.9358 cm^3
• Polarizability: 31.880693 Å^3
• Polar Surface Area: 53.4 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: 0.5
• LOG S: -1.75
• Polar Surface Area: 53.4 Å^2
• Rotatable Bonds: 3