2-methyl-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)imidazo[1,2-a]pyridine-6-carboxamide

• ChemBase ID: 474129
• Molecular Formular: C20H22N4O2
• Molecular Mass: 350.41428
• Monoisotopic Mass: 350.17427596
• SMILES: c1(C(=O)N(Cc2ncccc2)CC2OCCC2)cn2c(nc(c2)C)cc1
• Canonical SMILES: Cc1cn2c(n1)ccc(c2)C(=O)N(Cc1ccccn1)CC1CCCO1
• InChI: InChI=1S/C20H22N4O2/c1-15-11-23-12-16(7-8-19(23)22-15)20(25)24(14-18-6-4-10-26-18)13-17-5-2-3-9-21-17/h2-3,5,7-9,11-12,18H,4,6,10,13-14H2,1H3
• InChIKey: UOSRQAMKTZODMP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)imidazo[1,2-a]pyridine-6-carboxamide
• IUPAC Traditional name: 2-methyl-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)imidazo[1,2-a]pyridine-6-carboxamide
• Synonyms: 2-methyl-N-(pyridin-2-ylmethyl)-N-(tetrahydrofuran-2-ylmethyl)imidazo[1,2-a]pyridine-6-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.52979463
• LogD (pH = 7.4): 1.1750522
• Log P: 1.1957736
• Molar Refractivity: 99.5879 cm^3
• Polarizability: 37.59514 Å^3
• Polar Surface Area: 59.73 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.42
• LOG S: -0.81
• Polar Surface Area: 59.73 Å^2
• Rotatable Bonds: 5