1-{imidazo[1,2-a]pyridine-6-carbonyl}-4-[2-(1H-pyrazol-1-yl)ethyl]piperidine

• ChemBase ID: 756969
• Molecular Formular: C18H21N5O
• Molecular Mass: 323.39224
• Monoisotopic Mass: 323.17461032
• SMILES: c1(C(=O)N2CCC(CC2)CCn2nccc2)cn2c(ncc2)cc1
• Canonical SMILES: O=C(c1ccc2n(c1)ccn2)N1CCC(CC1)CCn1cccn1
• InChI: InChI=1S/C18H21N5O/c24-18(16-2-3-17-19-8-13-22(17)14-16)21-10-4-15(5-11-21)6-12-23-9-1-7-20-23/h1-3,7-9,13-15H,4-6,10-12H2
• InChIKey: UXZCUVUADWESDS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{imidazo[1,2-a]pyridine-6-carbonyl}-4-[2-(1H-pyrazol-1-yl)ethyl]piperidine
• IUPAC Traditional name: 1-{imidazo[1,2-a]pyridine-6-carbonyl}-4-[2-(pyrazol-1-yl)ethyl]piperidine
• Synonyms: 6-({4-[2-(1H-pyrazol-1-yl)ethyl]piperidin-1-yl}carbonyl)imidazo[1,2-a]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.49455163
• LogD (pH = 7.4): 1.0980421
• Log P: 1.1225001
• Molar Refractivity: 104.7286 cm^3
• Polarizability: 34.609695 Å^3
• Polar Surface Area: 55.43 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 0.52
• LOG S: -2.0
• Polar Surface Area: 55.43 Å^2
• Rotatable Bonds: 4