N-({1-[(2-methylphenyl)methyl]piperidin-4-yl}methyl)-N-(oxolan-2-ylmethyl)imidazo[1,2-a]pyridine-2-carboxamide

• ChemBase ID: 569121
• Molecular Formular: C27H34N4O2
• Molecular Mass: 446.58446
• Monoisotopic Mass: 446.26817635
• SMILES: c1(nc2n(c1)cccc2)C(=O)N(CC1OCCC1)CC1CCN(Cc2c(C)cccc2)CC1
• Canonical SMILES: O=C(c1nc2n(c1)cccc2)N(CC1CCCO1)CC1CCN(CC1)Cc1ccccc1C
• InChI: InChI=1S/C27H34N4O2/c1-21-7-2-3-8-23(21)18-29-14-11-22(12-15-29)17-31(19-24-9-6-16-33-24)27(32)25-20-30-13-5-4-10-26(30)28-25/h2-5,7-8,10,13,20,22,24H,6,9,11-12,14-19H2,1H3
• InChIKey: MDOFWCABBWYFEJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-({1-[(2-methylphenyl)methyl]piperidin-4-yl}methyl)-N-(oxolan-2-ylmethyl)imidazo[1,2-a]pyridine-2-carboxamide
• IUPAC Traditional name: N-({1-[(2-methylphenyl)methyl]piperidin-4-yl}methyl)-N-(oxolan-2-ylmethyl)imidazo[1,2-a]pyridine-2-carboxamide
• Synonyms: N-{[1-(2-methylbenzyl)-4-piperidinyl]methyl}-N-(tetrahydro-2-furanylmethyl)imidazo[1,2-a]pyridine-2-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.29034323
• LogD (pH = 7.4): 1.7790252
• Log P: 3.5872827
• Molar Refractivity: 132.6138 cm^3
• Polarizability: 50.346054 Å^3
• Polar Surface Area: 50.08 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 3.8
• LOG S: -4.15
• Polar Surface Area: 50.08 Å^2
• Rotatable Bonds: 7