N-{pyrazolo[1,5-a]pyridin-3-ylmethyl}-1-(pyridin-2-yl)piperidine-3-carboxamide

• ChemBase ID: 762769
• Molecular Formular: C19H21N5O
• Molecular Mass: 335.40294
• Monoisotopic Mass: 335.17461032
• SMILES: n12c(c(cn1)CNC(=O)C1CN(c3ncccc3)CCC1)cccc2
• Canonical SMILES: O=C(C1CCCN(C1)c1ccccn1)NCc1cnn2c1cccc2
• InChI: InChI=1S/C19H21N5O/c25-19(21-12-16-13-22-24-11-4-2-7-17(16)24)15-6-5-10-23(14-15)18-8-1-3-9-20-18/h1-4,7-9,11,13,15H,5-6,10,12,14H2,(H,21,25)
• InChIKey: QZNSISYWMMSKLA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{pyrazolo[1,5-a]pyridin-3-ylmethyl}-1-(pyridin-2-yl)piperidine-3-carboxamide
• IUPAC Traditional name: N-{pyrazolo[1,5-a]pyridin-3-ylmethyl}-1-(pyridin-2-yl)piperidine-3-carboxamide
• Synonyms: N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)-1-pyridin-2-ylpiperidine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.141068
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.4784578
• LogD (pH = 7.4): 2.3145523
• Log P: 2.3582366
• Molar Refractivity: 108.1225 cm^3
• Polarizability: 37.15097 Å^3
• Polar Surface Area: 62.53 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.35
• LOG S: -2.8
• Polar Surface Area: 62.53 Å^2
• Rotatable Bonds: 4