3-{imidazo[1,2-a]pyridin-2-yl}-N-[1-(pyridin-2-ylmethyl)piperidin-3-yl]propanamide

• ChemBase ID: 520005
• Molecular Formular: C21H25N5O
• Molecular Mass: 363.4561
• Monoisotopic Mass: 363.20591045
• SMILES: n12c(nc(c1)CCC(=O)NC1CN(Cc3ncccc3)CCC1)cccc2
• Canonical SMILES: O=C(NC1CCCN(C1)Cc1ccccn1)CCc1nc2n(c1)cccc2
• InChI: InChI=1S/C21H25N5O/c27-21(10-9-19-16-26-13-4-2-8-20(26)23-19)24-18-7-5-12-25(15-18)14-17-6-1-3-11-22-17/h1-4,6,8,11,13,16,18H,5,7,9-10,12,14-15H2,(H,24,27)
• InChIKey: OFESAJDYWFTRNO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-{imidazo[1,2-a]pyridin-2-yl}-N-[1-(pyridin-2-ylmethyl)piperidin-3-yl]propanamide
• IUPAC Traditional name: 3-{imidazo[1,2-a]pyridin-2-yl}-N-[1-(pyridin-2-ylmethyl)piperidin-3-yl]propanamide
• Synonyms: 3-imidazo[1,2-a]pyridin-2-yl-N-[1-(2-pyridinylmethyl)-3-piperidinyl]propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.387538
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.83195615
• LogD (pH = 7.4): 1.0845857
• Log P: 1.2049974
• Molar Refractivity: 105.3039 cm^3
• Polarizability: 40.55835 Å^3
• Polar Surface Area: 62.53 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 1.28
• LOG S: -3.58
• Polar Surface Area: 62.53 Å^2
• Rotatable Bonds: 6