N-benzyl-N-[(1R,2R)-2-hydroxycyclohexyl]imidazo[1,2-a]pyridine-6-carboxamide

• ChemBase ID: 593205
• Molecular Formular: C21H23N3O2
• Molecular Mass: 349.42622
• Monoisotopic Mass: 349.17902699
• SMILES: c1(C(=O)N([C@H]2[C@H](O)CCCC2)Cc2ccccc2)cn2c(ncc2)cc1
• Canonical SMILES: O[C@@H]1CCCC[C@H]1N(C(=O)c1ccc2n(c1)ccn2)Cc1ccccc1
• InChI: InChI=1S/C21H23N3O2/c25-19-9-5-4-8-18(19)24(14-16-6-2-1-3-7-16)21(26)17-10-11-20-22-12-13-23(20)15-17/h1-3,6-7,10-13,15,18-19,25H,4-5,8-9,14H2/t18-,19-/m1/s1
• InChIKey: CPLRDFUSEYZSOD-RTBURBONSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.57724
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.8808432
• LogD (pH = 7.4): 2.4821553
• Log P: 2.506382
• Molar Refractivity: 101.7965 cm^3
• Polarizability: 38.492367 Å^3
• Polar Surface Area: 57.84 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: 1.94
• LOG S: -3.4
• Polar Surface Area: 57.84 Å^2
• Rotatable Bonds: 4