N-[2-(3-phenylpiperidin-1-yl)ethyl]imidazo[1,2-a]pyrimidine-2-carboxamide

• ChemBase ID: 469389
• Molecular Formular: C20H23N5O
• Molecular Mass: 349.42952
• Monoisotopic Mass: 349.19026038
• SMILES: c1(nc2n(c1)cccn2)C(=O)NCCN1CC(c2ccccc2)CCC1
• Canonical SMILES: O=C(c1cn2c(n1)nccc2)NCCN1CCCC(C1)c1ccccc1
• InChI: InChI=1S/C20H23N5O/c26-19(18-15-25-12-5-9-22-20(25)23-18)21-10-13-24-11-4-8-17(14-24)16-6-2-1-3-7-16/h1-3,5-7,9,12,15,17H,4,8,10-11,13-14H2,(H,21,26)
• InChIKey: SIPWVRIDEQYXPV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(3-phenylpiperidin-1-yl)ethyl]imidazo[1,2-a]pyrimidine-2-carboxamide
• IUPAC Traditional name: N-[2-(3-phenylpiperidin-1-yl)ethyl]imidazo[1,2-a]pyrimidine-2-carboxamide
• Synonyms: N-[2-(3-phenylpiperidin-1-yl)ethyl]imidazo[1,2-a]pyrimidine-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.437065
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.994343
• LogD (pH = 7.4): 0.7797762
• Log P: 1.635249
• Molar Refractivity: 103.1204 cm^3
• Polarizability: 38.452946 Å^3
• Polar Surface Area: 62.53 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: 1.81
• LOG S: -3.29
• Polar Surface Area: 62.53 Å^2
• Rotatable Bonds: 5