1-[(1-{2-phenylimidazo[1,2-a]pyridine-6-carbonyl}pyrrolidin-2-yl)methyl]-1H-pyrazole

• ChemBase ID: 628375
• Molecular Formular: C22H21N5O
• Molecular Mass: 371.43504
• Monoisotopic Mass: 371.17461032
• SMILES: c1(C(=O)N2C(Cn3nccc3)CCC2)cn2c(nc(c2)c2ccccc2)cc1
• Canonical SMILES: O=C(N1CCCC1Cn1cccn1)c1ccc2n(c1)cc(n2)c1ccccc1
• InChI: InChI=1S/C22H21N5O/c28-22(27-13-4-8-19(27)15-26-12-5-11-23-26)18-9-10-21-24-20(16-25(21)14-18)17-6-2-1-3-7-17/h1-3,5-7,9-12,14,16,19H,4,8,13,15H2
• InChIKey: YFEWJYFRAGJYRY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[(1-{2-phenylimidazo[1,2-a]pyridine-6-carbonyl}pyrrolidin-2-yl)methyl]-1H-pyrazole
• IUPAC Traditional name: 1-[(1-{2-phenylimidazo[1,2-a]pyridine-6-carbonyl}pyrrolidin-2-yl)methyl]pyrazole
• Synonyms: 2-phenyl-6-{[2-(1H-pyrazol-1-ylmethyl)pyrrolidin-1-yl]carbonyl}imidazo[1,2-a]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.5982687
• LogD (pH = 7.4): 2.782775
• Log P: 2.785763
• Molar Refractivity: 119.776 cm^3
• Polarizability: 41.960884 Å^3
• Polar Surface Area: 55.43 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.72
• LOG S: -3.38
• Polar Surface Area: 55.43 Å^2
• Rotatable Bonds: 4