N-(1,2,3,4-tetrahydronaphthalen-2-yl)imidazo[1,2-a]pyridine-6-carboxamide

• ChemBase ID: 637585
• Molecular Formular: C18H17N3O
• Molecular Mass: 291.34708
• Monoisotopic Mass: 291.13716218
• SMILES: c1(cn2c(ncc2)cc1)C(=O)NC1Cc2c(CC1)cccc2
• Canonical SMILES: O=C(c1ccc2n(c1)ccn2)NC1CCc2c(C1)cccc2
• InChI: InChI=1S/C18H17N3O/c22-18(15-6-8-17-19-9-10-21(17)12-15)20-16-7-5-13-3-1-2-4-14(13)11-16/h1-4,6,8-10,12,16H,5,7,11H2,(H,20,22)
• InChIKey: NJVFIYCCLJEJLZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1,2,3,4-tetrahydronaphthalen-2-yl)imidazo[1,2-a]pyridine-6-carboxamide
• IUPAC Traditional name: N-(1,2,3,4-tetrahydronaphthalen-2-yl)imidazo[1,2-a]pyridine-6-carboxamide
• Synonyms: N-(1,2,3,4-tetrahydronaphthalen-2-yl)imidazo[1,2-a]pyridine-6-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.373022
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.7593538
• LogD (pH = 7.4): 2.3663518
• Log P: 2.3912244
• Molar Refractivity: 86.8599 cm^3
• Polarizability: 32.34922 Å^3
• Polar Surface Area: 46.4 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 2.86
• LOG S: -3.77
• Polar Surface Area: 46.4 Å^2
• Rotatable Bonds: 2