2-[1-({2-phenylimidazo[1,2-a]pyrimidin-3-yl}methyl)pyrrolidin-2-yl]pyridine

• ChemBase ID: 740020
• Molecular Formular: C22H21N5
• Molecular Mass: 355.43564
• Monoisotopic Mass: 355.1796957
• SMILES: c1(n2c(nc1c1ccccc1)nccc2)CN1C(c2ncccc2)CCC1
• Canonical SMILES: c1ccc(nc1)C1CCCN1Cc1c(nc2n1cccn2)c1ccccc1
• InChI: InChI=1S/C22H21N5/c1-2-8-17(9-3-1)21-20(27-15-7-13-24-22(27)25-21)16-26-14-6-11-19(26)18-10-4-5-12-23-18/h1-5,7-10,12-13,15,19H,6,11,14,16H2
• InChIKey: HLFWGPBMGQSOMG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[1-({2-phenylimidazo[1,2-a]pyrimidin-3-yl}methyl)pyrrolidin-2-yl]pyridine
• IUPAC Traditional name: 2-[1-({2-phenylimidazo[1,2-a]pyrimidin-3-yl}methyl)pyrrolidin-2-yl]pyridine
• Synonyms: 2-phenyl-3-{[2-(2-pyridinyl)-1-pyrrolidinyl]methyl}imidazo[1,2-a]pyrimidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.6842597
• LogD (pH = 7.4): 2.401302
• Log P: 2.9077947
• Molar Refractivity: 107.1938 cm^3
• Polarizability: 42.116505 Å^3
• Polar Surface Area: 46.32 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.14
• LOG S: -1.31
• Polar Surface Area: 46.32 Å^2
• Rotatable Bonds: 4