1-{2-phenylimidazo[1,2-a]pyridine-6-carbonyl}-4-(pyrrolidin-3-yl)piperazine

• ChemBase ID: 709270
• Molecular Formular: C22H25N5O
• Molecular Mass: 375.4668
• Monoisotopic Mass: 375.20591045
• SMILES: c1(C(=O)N2CCN(CC2)C2CCNC2)cn2c(nc(c2)c2ccccc2)cc1
• Canonical SMILES: O=C(c1ccc2n(c1)cc(n2)c1ccccc1)N1CCN(CC1)C1CNCC1
• InChI: InChI=1S/C22H25N5O/c28-22(26-12-10-25(11-13-26)19-8-9-23-14-19)18-6-7-21-24-20(16-27(21)15-18)17-4-2-1-3-5-17/h1-7,15-16,19,23H,8-14H2
• InChIKey: YDRDOMFSCWXYGI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{2-phenylimidazo[1,2-a]pyridine-6-carbonyl}-4-(pyrrolidin-3-yl)piperazine
• IUPAC Traditional name: 1-{2-phenylimidazo[1,2-a]pyridine-6-carbonyl}-4-(pyrrolidin-3-yl)piperazine
• Synonyms: 2-phenyl-6-[(4-pyrrolidin-3-ylpiperazin-1-yl)carbonyl]imidazo[1,2-a]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.9300858
• LogD (pH = 7.4): -1.4836752
• Log P: 1.5215355
• Molar Refractivity: 110.9135 cm^3
• Polarizability: 43.42119 Å^3
• Polar Surface Area: 52.88 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: 0.86
• LOG S: -2.67
• Polar Surface Area: 52.88 Å^2
• Rotatable Bonds: 3