1-{2,7-dimethylimidazo[1,2-a]pyridine-3-carbonyl}-2-(pyrrolidine-1-carbonyl)piperazine

• ChemBase ID: 339569
• Molecular Formular: C19H25N5O2
• Molecular Mass: 355.4341
• Monoisotopic Mass: 355.20082507
• SMILES: c1(C(=O)N2C(C(=O)N3CCCC3)CNCC2)n2c(nc1C)cc(cc2)C
• Canonical SMILES: Cc1ccn2c(c1)nc(c2C(=O)N1CCNCC1C(=O)N1CCCC1)C
• InChI: InChI=1S/C19H25N5O2/c1-13-5-9-24-16(11-13)21-14(2)17(24)19(26)23-10-6-20-12-15(23)18(25)22-7-3-4-8-22/h5,9,11,15,20H,3-4,6-8,10,12H2,1-2H3
• InChIKey: KRWXVCHGCSUCLS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{2,7-dimethylimidazo[1,2-a]pyridine-3-carbonyl}-2-(pyrrolidine-1-carbonyl)piperazine
• IUPAC Traditional name: 1-{2,7-dimethylimidazo[1,2-a]pyridine-3-carbonyl}-2-(pyrrolidine-1-carbonyl)piperazine
• Synonyms: 2,7-dimethyl-3-{[2-(1-pyrrolidinylcarbonyl)-1-piperazinyl]carbonyl}imidazo[1,2-a]pyridine

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.837383
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.8183234
• LogD (pH = 7.4): -0.34461775
• Log P: -0.17744724
• Molar Refractivity: 100.0603 cm^3
• Polarizability: 37.526344 Å^3
• Polar Surface Area: 69.95 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.76
• LOG S: -2.44
• Polar Surface Area: 69.95 Å^2
• Rotatable Bonds: 2