N-({2-[(2-oxopyrrolidin-1-yl)methyl]phenyl}methyl)imidazo[1,2-a]pyrimidine-2-carboxamide

• ChemBase ID: 506258
• Molecular Formular: C19H19N5O2
• Molecular Mass: 349.38646
• Monoisotopic Mass: 349.15387487
• SMILES: c1(nc2n(c1)cccn2)C(=O)NCc1c(CN2C(=O)CCC2)cccc1
• Canonical SMILES: O=C1CCCN1Cc1ccccc1CNC(=O)c1cn2c(n1)nccc2
• InChI: InChI=1S/C19H19N5O2/c25-17-7-3-9-23(17)12-15-6-2-1-5-14(15)11-21-18(26)16-13-24-10-4-8-20-19(24)22-16/h1-2,4-6,8,10,13H,3,7,9,11-12H2,(H,21,26)
• InChIKey: JENUVBOTTONFMB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-({2-[(2-oxopyrrolidin-1-yl)methyl]phenyl}methyl)imidazo[1,2-a]pyrimidine-2-carboxamide
• IUPAC Traditional name: N-({2-[(2-oxopyrrolidin-1-yl)methyl]phenyl}methyl)imidazo[1,2-a]pyrimidine-2-carboxamide
• Synonyms: N-{2-[(2-oxopyrrolidin-1-yl)methyl]benzyl}imidazo[1,2-a]pyrimidine-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.408937
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.38721675
• LogD (pH = 7.4): 0.38722858
• Log P: 0.3872288
• Molar Refractivity: 98.7145 cm^3
• Polarizability: 36.381725 Å^3
• Polar Surface Area: 79.6 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.75
• LOG S: -2.39
• Polar Surface Area: 79.6 Å^2
• Rotatable Bonds: 5