N-(2-{4-[(4-phenylpiperidin-1-yl)methyl]phenoxy}propyl)imidazo[1,2-a]pyridine-2-carboxamide

• ChemBase ID: 564579
• Molecular Formular: C29H32N4O2
• Molecular Mass: 468.58998
• Monoisotopic Mass: 468.25252628
• SMILES: c1(nc2n(c1)cccc2)C(=O)NCC(Oc1ccc(CN2CCC(CC2)c2ccccc2)cc1)C
• Canonical SMILES: CC(Oc1ccc(cc1)CN1CCC(CC1)c1ccccc1)CNC(=O)c1nc2n(c1)cccc2
• InChI: InChI=1S/C29H32N4O2/c1-22(19-30-29(34)27-21-33-16-6-5-9-28(33)31-27)35-26-12-10-23(11-13-26)20-32-17-14-25(15-18-32)24-7-3-2-4-8-24/h2-13,16,21-22,25H,14-15,17-20H2,1H3,(H,30,34)
• InChIKey: HSZSMVIYBLSWTD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-{4-[(4-phenylpiperidin-1-yl)methyl]phenoxy}propyl)imidazo[1,2-a]pyridine-2-carboxamide
• IUPAC Traditional name: N-(2-{4-[(4-phenylpiperidin-1-yl)methyl]phenoxy}propyl)imidazo[1,2-a]pyridine-2-carboxamide
• Synonyms: N-(2-{4-[(4-phenyl-1-piperidinyl)methyl]phenoxy}propyl)imidazo[1,2-a]pyridine-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.6446295
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.2928274
• LogD (pH = 7.4): 2.895695
• Log P: 4.4929266
• Molar Refractivity: 139.8388 cm^3
• Polarizability: 53.29563 Å^3
• Polar Surface Area: 58.87 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 5.72
• LOG S: -6.68
• Polar Surface Area: 58.87 Å^2
• Rotatable Bonds: 8