1-methyl-N-{pyrazolo[1,5-a]pyridin-3-ylmethyl}piperidine-3-carboxamide

• ChemBase ID: 553621
• Molecular Formular: C15H20N4O
• Molecular Mass: 272.3455
• Monoisotopic Mass: 272.16371128
• SMILES: n12c(c(cn1)CNC(=O)C1CN(CCC1)C)cccc2
• Canonical SMILES: CN1CCCC(C1)C(=O)NCc1cnn2c1cccc2
• InChI: InChI=1S/C15H20N4O/c1-18-7-4-5-12(11-18)15(20)16-9-13-10-17-19-8-3-2-6-14(13)19/h2-3,6,8,10,12H,4-5,7,9,11H2,1H3,(H,16,20)
• InChIKey: NIHWMHMKOQBIFO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.371959
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.1688046
• LogD (pH = 7.4): -0.63827133
• Log P: 1.0903313
• Molar Refractivity: 89.4674 cm^3
• Polarizability: 30.684128 Å^3
• Polar Surface Area: 49.64 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 0.84
• LOG S: -1.9
• Polar Surface Area: 49.64 Å^2
• Rotatable Bonds: 3