3-cyclohexyl-N-(1-{imidazo[1,2-a]pyrimidin-2-yl}propyl)-1H-pyrazole-4-carboxamide

• ChemBase ID: 735509
• Molecular Formular: C19H24N6O
• Molecular Mass: 352.43346
• Monoisotopic Mass: 352.20115942
• SMILES: c1(C(=O)NC(c2nc3n(c2)cccn3)CC)c(n[nH]c1)C1CCCCC1
• Canonical SMILES: CCC(c1cn2c(n1)nccc2)NC(=O)c1c[nH]nc1C1CCCCC1
• InChI: InChI=1S/C19H24N6O/c1-2-15(16-12-25-10-6-9-20-19(25)23-16)22-18(26)14-11-21-24-17(14)13-7-4-3-5-8-13/h6,9-13,15H,2-5,7-8H2,1H3,(H,21,24)(H,22,26)
• InChIKey: NYGFHUPRUZJIME-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-cyclohexyl-N-(1-{imidazo[1,2-a]pyrimidin-2-yl}propyl)-1H-pyrazole-4-carboxamide
• IUPAC Traditional name: 3-cyclohexyl-N-(1-{imidazo[1,2-a]pyrimidin-2-yl}propyl)-1H-pyrazole-4-carboxamide
• Synonyms: 3-cyclohexyl-N-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)-1H-pyrazole-4-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.286444
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 2.326773
• LogD (pH = 7.4): 2.3273258
• Log P: 2.3278992
• Molar Refractivity: 101.3541 cm^3
• Polarizability: 37.421654 Å^3
• Polar Surface Area: 87.97 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 3.05
• LOG S: -4.37
• Polar Surface Area: 87.97 Å^2
• Rotatable Bonds: 5