N-({5,7-dimethylimidazo[1,2-a]pyridin-2-yl}methyl)-1-ethyl-3-(2-methylpropyl)-1H-pyrazole-5-carboxamide

• ChemBase ID: 605107
• Molecular Formular: C20H27N5O
• Molecular Mass: 353.46128
• Monoisotopic Mass: 353.22156051
• SMILES: c1(n(nc(c1)CC(C)C)CC)C(=O)NCc1nc2n(c(cc(c2)C)C)c1
• Canonical SMILES: CCn1nc(cc1C(=O)NCc1cn2c(n1)cc(cc2C)C)CC(C)C
• InChI: InChI=1S/C20H27N5O/c1-6-25-18(10-16(23-25)7-13(2)3)20(26)21-11-17-12-24-15(5)8-14(4)9-19(24)22-17/h8-10,12-13H,6-7,11H2,1-5H3,(H,21,26)
• InChIKey: IPKPEHXBXHLARF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-({5,7-dimethylimidazo[1,2-a]pyridin-2-yl}methyl)-1-ethyl-3-(2-methylpropyl)-1H-pyrazole-5-carboxamide
• IUPAC Traditional name: N-({5,7-dimethylimidazo[1,2-a]pyridin-2-yl}methyl)-2-ethyl-5-(2-methylpropyl)pyrazole-3-carboxamide
• Synonyms: N-[(5,7-dimethylimidazo[1,2-a]pyridin-2-yl)methyl]-1-ethyl-3-isobutyl-1H-pyrazole-5-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.242128
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.034212
• LogD (pH = 7.4): 2.6042097
• Log P: 2.6209564
• Molar Refractivity: 116.0903 cm^3
• Polarizability: 38.78363 Å^3
• Polar Surface Area: 64.22 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.15
• LOG S: -4.47
• Polar Surface Area: 64.22 Å^2
• Rotatable Bonds: 6