N-(2-{imidazo[1,2-a]pyridin-2-yl}ethyl)-1-[4-(morpholine-4-carbonyl)phenyl]piperidin-4-amine

• ChemBase ID: 605685
• Molecular Formular: C25H31N5O2
• Molecular Mass: 433.54594
• Monoisotopic Mass: 433.24777526
• SMILES: n12c(nc(c1)CCNC1CCN(c3ccc(C(=O)N4CCOCC4)cc3)CC1)cccc2
• Canonical SMILES: O=C(c1ccc(cc1)N1CCC(CC1)NCCc1nc2n(c1)cccc2)N1CCOCC1
• InChI: InChI=1S/C25H31N5O2/c31-25(29-15-17-32-18-16-29)20-4-6-23(7-5-20)28-13-9-21(10-14-28)26-11-8-22-19-30-12-2-1-3-24(30)27-22/h1-7,12,19,21,26H,8-11,13-18H2
• InChIKey: IEERBQURCNXGDF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-{imidazo[1,2-a]pyridin-2-yl}ethyl)-1-[4-(morpholine-4-carbonyl)phenyl]piperidin-4-amine
• IUPAC Traditional name: N-(2-{imidazo[1,2-a]pyridin-2-yl}ethyl)-1-[4-(morpholine-4-carbonyl)phenyl]piperidin-4-amine
• Synonyms: N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-1-[4-(4-morpholinylcarbonyl)phenyl]-4-piperidinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -2.0654678
• LogD (pH = 7.4): -0.8311528
• Log P: 1.6338012
• Molar Refractivity: 127.2575 cm^3
• Polarizability: 47.791515 Å^3
• Polar Surface Area: 62.11 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: 1.53
• LOG S: -4.64
• Polar Surface Area: 62.11 Å^2
• Rotatable Bonds: 6