6-chloro-N-cyclopropyl-3-fluoro-N-[(3-hydroxyphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide

• ChemBase ID: 832363
• Molecular Formular: C18H15ClFN3O2
• Molecular Mass: 359.7820032
• Monoisotopic Mass: 359.08368264
• SMILES: c1(c(n2c(n1)ccc(c2)Cl)F)C(=O)N(C1CC1)Cc1cc(O)ccc1
• Canonical SMILES: Clc1ccc2n(c1)c(F)c(n2)C(=O)N(C1CC1)Cc1cccc(c1)O
• InChI: InChI=1S/C18H15ClFN3O2/c19-12-4-7-15-21-16(17(20)23(15)10-12)18(25)22(13-5-6-13)9-11-2-1-3-14(24)8-11/h1-4,7-8,10,13,24H,5-6,9H2
• InChIKey: ZPGBVWUWILEDSD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-chloro-N-cyclopropyl-3-fluoro-N-[(3-hydroxyphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide
• IUPAC Traditional name: 6-chloro-N-cyclopropyl-3-fluoro-N-[(3-hydroxyphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide
• Synonyms: 6-chloro-N-cyclopropyl-3-fluoro-N-(3-hydroxybenzyl)imidazo[1,2-a]pyridine-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.414609
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.9652548
• LogD (pH = 7.4): 2.96122
• Log P: 2.9653752
• Molar Refractivity: 93.2166 cm^3
• Polarizability: 34.58375 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: 1.91
• LOG S: -2.87
• Polar Surface Area: 57.84 Å^2
• Rotatable Bonds: 4