N-({3-[2-(dimethylamino)ethoxy]phenyl}methyl)-N-(pyridin-2-ylmethyl)imidazo[1,2-a]pyridine-2-carboxamide

• ChemBase ID: 619911
• Molecular Formular: C25H27N5O2
• Molecular Mass: 429.51418
• Monoisotopic Mass: 429.21647513
• SMILES: c1(nc2n(c1)cccc2)C(=O)N(Cc1cc(OCCN(C)C)ccc1)Cc1ncccc1
• Canonical SMILES: CN(CCOc1cccc(c1)CN(C(=O)c1nc2n(c1)cccc2)Cc1ccccn1)C
• InChI: InChI=1S/C25H27N5O2/c1-28(2)14-15-32-22-10-7-8-20(16-22)17-30(18-21-9-3-5-12-26-21)25(31)23-19-29-13-6-4-11-24(29)27-23/h3-13,16,19H,14-15,17-18H2,1-2H3
• InChIKey: USTFUTIFZNUMHD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-({3-[2-(dimethylamino)ethoxy]phenyl}methyl)-N-(pyridin-2-ylmethyl)imidazo[1,2-a]pyridine-2-carboxamide
• IUPAC Traditional name: N-({3-[2-(dimethylamino)ethoxy]phenyl}methyl)-N-(pyridin-2-ylmethyl)imidazo[1,2-a]pyridine-2-carboxamide
• Synonyms: N-{3-[2-(dimethylamino)ethoxy]benzyl}-N-(2-pyridinylmethyl)imidazo[1,2-a]pyridine-2-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -0.47290382
• LogD (pH = 7.4): 1.2345715
• Log P: 2.6171112
• Molar Refractivity: 125.4646 cm^3
• Polarizability: 47.664085 Å^3
• Polar Surface Area: 62.97 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 1.85
• LOG S: -3.29
• Polar Surface Area: 62.97 Å^2
• Rotatable Bonds: 8