1-[2-(cyclohexylmethyl)morpholin-4-yl]-3-{imidazo[1,2-a]pyridin-2-yl}propan-1-one

• ChemBase ID: 434765
• Molecular Formular: C21H29N3O2
• Molecular Mass: 355.47386
• Monoisotopic Mass: 355.22597718
• SMILES: n12c(nc(c1)CCC(=O)N1CC(OCC1)CC1CCCCC1)cccc2
• Canonical SMILES: O=C(N1CCOC(C1)CC1CCCCC1)CCc1nc2n(c1)cccc2
• InChI: InChI=1S/C21H29N3O2/c25-21(10-9-18-15-23-11-5-4-8-20(23)22-18)24-12-13-26-19(16-24)14-17-6-2-1-3-7-17/h4-5,8,11,15,17,19H,1-3,6-7,9-10,12-14,16H2
• InChIKey: DZLKIYDVELKSPQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[2-(cyclohexylmethyl)morpholin-4-yl]-3-{imidazo[1,2-a]pyridin-2-yl}propan-1-one
• IUPAC Traditional name: 1-[2-(cyclohexylmethyl)morpholin-4-yl]-3-{imidazo[1,2-a]pyridin-2-yl}propan-1-one
• Synonyms: 2-{3-[2-(cyclohexylmethyl)-4-morpholinyl]-3-oxopropyl}imidazo[1,2-a]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.9389796
• LogD (pH = 7.4): 2.6509848
• Log P: 2.6783566
• Molar Refractivity: 102.2045 cm^3
• Polarizability: 39.508327 Å^3
• Polar Surface Area: 46.84 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: 3.29
• LOG S: -4.42
• Polar Surface Area: 46.84 Å^2
• Rotatable Bonds: 5