3-cyclohexyl-N-({8-methylimidazo[1,2-a]pyridin-3-yl}methyl)-1H-pyrazole-4-carboxamide

• ChemBase ID: 515834
• Molecular Formular: C19H23N5O
• Molecular Mass: 337.41882
• Monoisotopic Mass: 337.19026038
• SMILES: c12n(c(cn1)CNC(=O)c1c(n[nH]c1)C1CCCCC1)cccc2C
• Canonical SMILES: O=C(c1c[nH]nc1C1CCCCC1)NCc1cnc2n1cccc2C
• InChI: InChI=1S/C19H23N5O/c1-13-6-5-9-24-15(10-20-18(13)24)11-21-19(25)16-12-22-23-17(16)14-7-3-2-4-8-14/h5-6,9-10,12,14H,2-4,7-8,11H2,1H3,(H,21,25)(H,22,23)
• InChIKey: VYLOHVJMMSSELA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-cyclohexyl-N-({8-methylimidazo[1,2-a]pyridin-3-yl}methyl)-1H-pyrazole-4-carboxamide
• IUPAC Traditional name: 3-cyclohexyl-N-({8-methylimidazo[1,2-a]pyridin-3-yl}methyl)-1H-pyrazole-4-carboxamide
• Synonyms: 3-cyclohexyl-N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]-1H-pyrazole-4-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.306493
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.7780306
• LogD (pH = 7.4): 2.4962606
• Log P: 2.5408177
• Molar Refractivity: 98.9239 cm^3
• Polarizability: 36.37243 Å^3
• Polar Surface Area: 75.08 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 3.58
• LOG S: -4.72
• Polar Surface Area: 75.08 Å^2
• Rotatable Bonds: 4