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

• ChemBase ID: 618564
• Molecular Formular: C16H21N5O
• Molecular Mass: 299.37084
• Monoisotopic Mass: 299.17461032
• SMILES: c1(c2c(n[nH]1)CCN(C2)Cc1ncc(cc1)CC)C(=O)NC
• Canonical SMILES: CNC(=O)c1[nH]nc2c1CN(CC2)Cc1ccc(cn1)CC
• InChI: InChI=1S/C16H21N5O/c1-3-11-4-5-12(18-8-11)9-21-7-6-14-13(10-21)15(20-19-14)16(22)17-2/h4-5,8H,3,6-7,9-10H2,1-2H3,(H,17,22)(H,19,20)
• InChIKey: VSOFPWDVJDXMDH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.395994
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.3436247
• LogD (pH = 7.4): 0.8137094
• Log P: 0.8291186
• Molar Refractivity: 86.4482 cm^3
• Polarizability: 32.20058 Å^3
• Polar Surface Area: 73.91 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: -0.79
• LOG S: -0.72
• Polar Surface Area: 73.91 Å^2
• Rotatable Bonds: 4