2-[2-(1H-pyrazol-1-yl)ethyl]-1-{pyrazolo[1,5-a]pyridine-3-carbonyl}piperidine

• ChemBase ID: 771023
• Molecular Formular: C18H21N5O
• Molecular Mass: 323.39224
• Monoisotopic Mass: 323.17461032
• SMILES: c1(C(=O)N2C(CCn3nccc3)CCCC2)c2n(nc1)cccc2
• Canonical SMILES: O=C(c1cnn2c1cccc2)N1CCCCC1CCn1cccn1
• InChI: InChI=1S/C18H21N5O/c24-18(16-14-20-23-12-4-2-7-17(16)23)22-11-3-1-6-15(22)8-13-21-10-5-9-19-21/h2,4-5,7,9-10,12,14-15H,1,3,6,8,11,13H2
• InChIKey: VWKDSXRHTRAHSQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[2-(1H-pyrazol-1-yl)ethyl]-1-{pyrazolo[1,5-a]pyridine-3-carbonyl}piperidine
• IUPAC Traditional name: 2-[2-(pyrazol-1-yl)ethyl]-1-{pyrazolo[1,5-a]pyridine-3-carbonyl}piperidine
• Synonyms: 3-({2-[2-(1H-pyrazol-1-yl)ethyl]-1-piperidinyl}carbonyl)pyrazolo[1,5-a]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.0007026
• LogD (pH = 7.4): 2.0008473
• Log P: 2.0008492
• Molar Refractivity: 114.5197 cm^3
• Polarizability: 35.352867 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: 1.1
• LOG S: -2.5
• Polar Surface Area: 55.43 Å^2
• Rotatable Bonds: 4