N-{[1-(4-methoxyphenyl)cyclopentyl]methyl}imidazo[1,2-a]pyrimidine-2-carboxamide

• ChemBase ID: 667258
• Molecular Formular: C20H22N4O2
• Molecular Mass: 350.41428
• Monoisotopic Mass: 350.17427596
• SMILES: c1(nc2n(c1)cccn2)C(=O)NCC1(c2ccc(cc2)OC)CCCC1
• Canonical SMILES: COc1ccc(cc1)C1(CCCC1)CNC(=O)c1cn2c(n1)nccc2
• InChI: InChI=1S/C20H22N4O2/c1-26-16-7-5-15(6-8-16)20(9-2-3-10-20)14-22-18(25)17-13-24-12-4-11-21-19(24)23-17/h4-8,11-13H,2-3,9-10,14H2,1H3,(H,22,25)
• InChIKey: CBDSOBDTFKCYGW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[1-(4-methoxyphenyl)cyclopentyl]methyl}imidazo[1,2-a]pyrimidine-2-carboxamide
• IUPAC Traditional name: N-{[1-(4-methoxyphenyl)cyclopentyl]methyl}imidazo[1,2-a]pyrimidine-2-carboxamide
• Synonyms: N-{[1-(4-methoxyphenyl)cyclopentyl]methyl}imidazo[1,2-a]pyrimidine-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.442437
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.2912977
• LogD (pH = 7.4): 2.2913096
• Log P: 2.2913098
• Molar Refractivity: 100.493 cm^3
• Polarizability: 37.681458 Å^3
• Polar Surface Area: 68.52 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: 2.96
• LOG S: -4.28
• Polar Surface Area: 68.52 Å^2
• Rotatable Bonds: 5