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

• ChemBase ID: 642537
• Molecular Formular: C19H23N5O
• Molecular Mass: 337.41882
• Monoisotopic Mass: 337.19026038
• SMILES: c1(C(=O)N2C(CCc3n(ccn3)C)CCCC2)c2n(nc1)cccc2
• Canonical SMILES: O=C(c1cnn2c1cccc2)N1CCCCC1CCc1nccn1C
• InChI: InChI=1S/C19H23N5O/c1-22-13-10-20-18(22)9-8-15-6-2-4-11-23(15)19(25)16-14-21-24-12-5-3-7-17(16)24/h3,5,7,10,12-15H,2,4,6,8-9,11H2,1H3
• InChIKey: YABFBEMFJAWJQL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.4063655
• LogD (pH = 7.4): 2.101296
• Log P: 2.1398282
• Molar Refractivity: 107.9074 cm^3
• Polarizability: 37.119045 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: 0.8
• LOG S: -2.34
• Polar Surface Area: 55.43 Å^2
• Rotatable Bonds: 4