N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)propyl]-3-{imidazo[1,2-a]pyridin-2-yl}propanamide

• ChemBase ID: 562571
• Molecular Formular: C18H23N5O
• Molecular Mass: 325.40812
• Monoisotopic Mass: 325.19026038
• SMILES: n1(nc(cc1C)C)C(CNC(=O)CCc1nc2n(c1)cccc2)C
• Canonical SMILES: O=C(NCC(n1nc(cc1C)C)C)CCc1nc2n(c1)cccc2
• InChI: InChI=1S/C18H23N5O/c1-13-10-14(2)23(21-13)15(3)11-19-18(24)8-7-16-12-22-9-5-4-6-17(22)20-16/h4-6,9-10,12,15H,7-8,11H2,1-3H3,(H,19,24)
• InChIKey: HMFFUMBSBXIWHE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)propyl]-3-{imidazo[1,2-a]pyridin-2-yl}propanamide
• IUPAC Traditional name: N-[2-(3,5-dimethylpyrazol-1-yl)propyl]-3-{imidazo[1,2-a]pyridin-2-yl}propanamide
• Synonyms: N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)propyl]-3-imidazo[1,2-a]pyridin-2-ylpropanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.524018
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.36743587
• LogD (pH = 7.4): 1.082196
• Log P: 1.1096033
• Molar Refractivity: 105.2925 cm^3
• Polarizability: 35.468277 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: 1.73
• LOG S: -3.05
• Polar Surface Area: 64.22 Å^2
• Rotatable Bonds: 6