N-(2H-1,3-benzodioxol-5-ylmethyl)-N-cyclopentylimidazo[1,2-a]pyridine-6-carboxamide

• ChemBase ID: 456183
• Molecular Formular: C21H21N3O3
• Molecular Mass: 363.40974
• Monoisotopic Mass: 363.15829155
• SMILES: c1(C(=O)N(Cc2cc3c(OCO3)cc2)C2CCCC2)cn2c(ncc2)cc1
• Canonical SMILES: O=C(N(C1CCCC1)Cc1ccc2c(c1)OCO2)c1ccc2n(c1)ccn2
• InChI: InChI=1S/C21H21N3O3/c25-21(16-6-8-20-22-9-10-23(20)13-16)24(17-3-1-2-4-17)12-15-5-7-18-19(11-15)27-14-26-18/h5-11,13,17H,1-4,12,14H2
• InChIKey: OUMOVXPXLCXUTL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2H-1,3-benzodioxol-5-ylmethyl)-N-cyclopentylimidazo[1,2-a]pyridine-6-carboxamide
• IUPAC Traditional name: N-(2H-1,3-benzodioxol-5-ylmethyl)-N-cyclopentylimidazo[1,2-a]pyridine-6-carboxamide
• Synonyms: N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentylimidazo[1,2-a]pyridine-6-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.1339083
• LogD (pH = 7.4): 2.7356732
• Log P: 2.7599504
• Molar Refractivity: 101.6009 cm^3
• Polarizability: 38.50248 Å^3
• Polar Surface Area: 56.07 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.75
• LOG S: -4.2
• Polar Surface Area: 56.07 Å^2
• Rotatable Bonds: 4