7-methyl-N-(oxolan-2-ylmethyl)-N-[(2E)-3-phenylprop-2-en-1-yl]imidazo[1,2-a]pyridine-2-carboxamide

• ChemBase ID: 362057
• Molecular Formular: C23H25N3O2
• Molecular Mass: 375.4635
• Monoisotopic Mass: 375.19467706
• SMILES: c1(nc2n(c1)ccc(c2)C)C(=O)N(CC1OCCC1)C/C=C/c1ccccc1
• Canonical SMILES: Cc1ccn2c(c1)nc(c2)C(=O)N(CC1CCCO1)C/C=C/c1ccccc1
• InChI: InChI=1S/C23H25N3O2/c1-18-11-13-25-17-21(24-22(25)15-18)23(27)26(16-20-10-6-14-28-20)12-5-9-19-7-3-2-4-8-19/h2-5,7-9,11,13,15,17,20H,6,10,12,14,16H2,1H3/b9-5+
• InChIKey: OOTGWNDSUQAVID-WEVVVXLNSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-methyl-N-(oxolan-2-ylmethyl)-N-[(2E)-3-phenylprop-2-en-1-yl]imidazo[1,2-a]pyridine-2-carboxamide
• IUPAC Traditional name: 7-methyl-N-(oxolan-2-ylmethyl)-N-[(2E)-3-phenylprop-2-en-1-yl]imidazo[1,2-a]pyridine-2-carboxamide
• Synonyms: 7-methyl-N-[(2E)-3-phenylprop-2-en-1-yl]-N-(tetrahydrofuran-2-ylmethyl)imidazo[1,2-a]pyridine-2-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.705003
• LogD (pH = 7.4): 3.7097309
• Log P: 3.7097914
• Molar Refractivity: 112.6633 cm^3
• Polarizability: 42.015434 Å^3
• Polar Surface Area: 46.84 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.86
• LOG S: -4.38
• Polar Surface Area: 46.84 Å^2
• Rotatable Bonds: 6