N-(2-{imidazo[1,2-a]pyridin-2-yl}ethyl)-1-[3-(1H-pyrazol-5-yl)phenyl]piperidin-4-amine

• ChemBase ID: 503066
• Molecular Formular: C23H26N6
• Molecular Mass: 386.49274
• Monoisotopic Mass: 386.22189486
• SMILES: n12c(nc(c1)CCNC1CCN(c3cc(c4[nH]ncc4)ccc3)CC1)cccc2
• Canonical SMILES: C(Cc1nc2n(c1)cccc2)NC1CCN(CC1)c1cccc(c1)c1[nH]ncc1
• InChI: InChI=1S/C23H26N6/c1-2-13-29-17-20(26-23(29)6-1)7-11-24-19-9-14-28(15-10-19)21-5-3-4-18(16-21)22-8-12-25-27-22/h1-6,8,12-13,16-17,19,24H,7,9-11,14-15H2,(H,25,27)
• InChIKey: VRJBKLIPOPSTBG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-{imidazo[1,2-a]pyridin-2-yl}ethyl)-1-[3-(1H-pyrazol-5-yl)phenyl]piperidin-4-amine
• IUPAC Traditional name: N-(2-{imidazo[1,2-a]pyridin-2-yl}ethyl)-1-[3-(2H-pyrazol-3-yl)phenyl]piperidin-4-amine
• Synonyms: N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-1-[3-(1H-pyrazol-5-yl)phenyl]-4-piperidinamine

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.002092
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -1.2873429
• LogD (pH = 7.4): -0.039364908
• Log P: 2.4257197
• Molar Refractivity: 118.0123 cm^3
• Polarizability: 45.422726 Å^3
• Polar Surface Area: 61.25 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 2.89
• LOG S: -3.48
• Polar Surface Area: 61.25 Å^2
• Rotatable Bonds: 6