5-methyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide

• ChemBase ID: 423034
• Molecular Formular: C18H19N5O2
• Molecular Mass: 337.37576
• Monoisotopic Mass: 337.15387487
• SMILES: c12c(n[nH]c1CCN(C2)C)C(=O)NCc1noc(c1)c1ccccc1
• Canonical SMILES: CN1CCc2c(C1)c(n[nH]2)C(=O)NCc1noc(c1)c1ccccc1
• InChI: InChI=1S/C18H19N5O2/c1-23-8-7-15-14(11-23)17(21-20-15)18(24)19-10-13-9-16(25-22-13)12-5-3-2-4-6-12/h2-6,9H,7-8,10-11H2,1H3,(H,19,24)(H,20,21)
• InChIKey: IJLVBPBKJGKEPJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
• IUPAC Traditional name: 5-methyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]-1H,4H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
• Synonyms: 5-methyl-N-[(5-phenylisoxazol-3-yl)methyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.001037
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.49975768
• LogD (pH = 7.4): 0.94932413
• Log P: 1.055361
• Molar Refractivity: 95.7348 cm^3
• Polarizability: 36.42863 Å^3
• Polar Surface Area: 87.05 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 0.14
• LOG S: -3.09
• Polar Surface Area: 87.05 Å^2
• Rotatable Bonds: 4