N-[(1R,2R)-2-(benzyloxy)cyclopentyl]imidazo[1,2-a]pyridine-6-carboxamide

• ChemBase ID: 448651
• Molecular Formular: C20H21N3O2
• Molecular Mass: 335.39964
• Monoisotopic Mass: 335.16337693
• SMILES: c1(cn2c(ncc2)cc1)C(=O)N[C@H]1[C@H](OCc2ccccc2)CCC1
• Canonical SMILES: O=C(c1ccc2n(c1)ccn2)N[C@@H]1CCC[C@H]1OCc1ccccc1
• InChI: InChI=1S/C20H21N3O2/c24-20(16-9-10-19-21-11-12-23(19)13-16)22-17-7-4-8-18(17)25-14-15-5-2-1-3-6-15/h1-3,5-6,9-13,17-18H,4,7-8,14H2,(H,22,24)/t17-,18-/m1/s1
• InChIKey: CFOPHDUKUAGMKQ-QZTJIDSGSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(1R,2R)-2-(benzyloxy)cyclopentyl]imidazo[1,2-a]pyridine-6-carboxamide
• IUPAC Traditional name: N-[(1R,2R)-2-(benzyloxy)cyclopentyl]imidazo[1,2-a]pyridine-6-carboxamide
• Synonyms: N-[(1R,2R)-2-(benzyloxy)cyclopentyl]imidazo[1,2-a]pyridine-6-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.341857
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.849821
• LogD (pH = 7.4): 2.4564354
• Log P: 2.4812636
• Molar Refractivity: 97.05 cm^3
• Polarizability: 36.72193 Å^3
• Polar Surface Area: 55.63 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.7
• LOG S: -3.95
• Polar Surface Area: 55.63 Å^2
• Rotatable Bonds: 5