3-(4-fluorophenoxymethyl)-1-{imidazo[1,2-a]pyrimidine-2-carbonyl}piperidine

• ChemBase ID: 773940
• Molecular Formular: C19H19FN4O2
• Molecular Mass: 354.3781632
• Monoisotopic Mass: 354.14920409
• SMILES: c1(nc2n(c1)cccn2)C(=O)N1CC(COc2ccc(F)cc2)CCC1
• Canonical SMILES: Fc1ccc(cc1)OCC1CCCN(C1)C(=O)c1cn2c(n1)nccc2
• InChI: InChI=1S/C19H19FN4O2/c20-15-4-6-16(7-5-15)26-13-14-3-1-9-23(11-14)18(25)17-12-24-10-2-8-21-19(24)22-17/h2,4-8,10,12,14H,1,3,9,11,13H2
• InChIKey: DOUKDHWNBHZQPB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(4-fluorophenoxymethyl)-1-{imidazo[1,2-a]pyrimidine-2-carbonyl}piperidine
• IUPAC Traditional name: 3-(4-fluorophenoxymethyl)-1-{imidazo[1,2-a]pyrimidine-2-carbonyl}piperidine
• Synonyms: 2-({3-[(4-fluorophenoxy)methyl]-1-piperidinyl}carbonyl)imidazo[1,2-a]pyrimidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.7881963
• LogD (pH = 7.4): 1.7882081
• Log P: 1.7882082
• Molar Refractivity: 96.2092 cm^3
• Polarizability: 35.54521 Å^3
• Polar Surface Area: 59.73 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: 1.69
• LOG S: -3.23
• Polar Surface Area: 59.73 Å^2
• Rotatable Bonds: 4