N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}-3-(1H-pyrazol-1-yl)butanamide

• ChemBase ID: 865378
• Molecular Formular: C14H19N5O
• Molecular Mass: 273.33356
• Monoisotopic Mass: 273.15896025
• SMILES: c1(n2c(nc1)CCCC2)NC(=O)CC(n1nccc1)C
• Canonical SMILES: O=C(CC(n1cccn1)C)Nc1cnc2n1CCCC2
• InChI: InChI=1S/C14H19N5O/c1-11(19-8-4-6-16-19)9-14(20)17-13-10-15-12-5-2-3-7-18(12)13/h4,6,8,10-11H,2-3,5,7,9H2,1H3,(H,17,20)
• InChIKey: IRTVQYNWWDXXMV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}-3-(1H-pyrazol-1-yl)butanamide
• IUPAC Traditional name: N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}-3-(pyrazol-1-yl)butanamide
• Synonyms: 3-(1H-pyrazol-1-yl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)butanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.782045
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.27515718
• LogD (pH = 7.4): 0.92553
• Log P: 0.95611227
• Molar Refractivity: 87.4833 cm^3
• Polarizability: 28.607847 Å^3
• Polar Surface Area: 64.74 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 0.88
• LOG S: -1.95
• Polar Surface Area: 64.74 Å^2
• Rotatable Bonds: 4