N-(6-methoxypyridin-3-yl)-4-{2H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-ylmethyl}benzamide

• ChemBase ID: 824757
• Molecular Formular: C20H21N5O2
• Molecular Mass: 363.41304
• Monoisotopic Mass: 363.16952494
• SMILES: c12c(n[nH]c2)CCN(C1)Cc1ccc(C(=O)Nc2cnc(cc2)OC)cc1
• Canonical SMILES: COc1ccc(cn1)NC(=O)c1ccc(cc1)CN1CCc2c(C1)c[nH]n2
• InChI: InChI=1S/C20H21N5O2/c1-27-19-7-6-17(11-21-19)23-20(26)15-4-2-14(3-5-15)12-25-9-8-18-16(13-25)10-22-24-18/h2-7,10-11H,8-9,12-13H2,1H3,(H,22,24)(H,23,26)
• InChIKey: AEDIVRDPHDKQHT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(6-methoxypyridin-3-yl)-4-{2H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-ylmethyl}benzamide
• IUPAC Traditional name: N-(6-methoxypyridin-3-yl)-4-{2H,4H,6H,7H-pyrazolo[4,3-c]pyridin-5-ylmethyl}benzamide
• Synonyms: N-(6-methoxypyridin-3-yl)-4-(2,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-ylmethyl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.559751
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -0.0027245092
• LogD (pH = 7.4): 1.739341
• Log P: 2.3240104
• Molar Refractivity: 105.7858 cm^3
• Polarizability: 39.039185 Å^3
• Polar Surface Area: 83.14 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 2.58
• LOG S: -4.05
• Polar Surface Area: 83.14 Å^2
• Rotatable Bonds: 5