N,2-dimethyl-N-[1-(2-phenylethyl)piperidin-3-yl]imidazo[1,2-a]pyrimidine-3-carboxamide

• ChemBase ID: 438907
• Molecular Formular: C22H27N5O
• Molecular Mass: 377.48268
• Monoisotopic Mass: 377.22156051
• SMILES: c1(n2c(nc1C)nccc2)C(=O)N(C1CN(CCc2ccccc2)CCC1)C
• Canonical SMILES: CN(C(=O)c1c(C)nc2n1cccn2)C1CCCN(C1)CCc1ccccc1
• InChI: InChI=1S/C22H27N5O/c1-17-20(27-14-7-12-23-22(27)24-17)21(28)25(2)19-10-6-13-26(16-19)15-11-18-8-4-3-5-9-18/h3-5,7-9,12,14,19H,6,10-11,13,15-16H2,1-2H3
• InChIKey: PQBSYMAGCHEWBA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,2-dimethyl-N-[1-(2-phenylethyl)piperidin-3-yl]imidazo[1,2-a]pyrimidine-3-carboxamide
• IUPAC Traditional name: N,2-dimethyl-N-[1-(2-phenylethyl)piperidin-3-yl]imidazo[1,2-a]pyrimidine-3-carboxamide
• Synonyms: N,2-dimethyl-N-[1-(2-phenylethyl)-3-piperidinyl]imidazo[1,2-a]pyrimidine-3-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -1.1972545
• LogD (pH = 7.4): 0.55874145
• Log P: 1.654002
• Molar Refractivity: 112.7283 cm^3
• Polarizability: 42.060604 Å^3
• Polar Surface Area: 53.74 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.36
• LOG S: -3.39
• Polar Surface Area: 53.74 Å^2
• Rotatable Bonds: 5