N-benzyl-1-(2-hydroxyethyl)-5-(propan-2-yl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide

• ChemBase ID: 724187
• Molecular Formular: C19H26N4O2
• Molecular Mass: 342.43534
• Monoisotopic Mass: 342.20557609
• SMILES: c12c(nn(c1CCN(C2)C(C)C)CCO)C(=O)NCc1ccccc1
• Canonical SMILES: OCCn1nc(c2c1CCN(C2)C(C)C)C(=O)NCc1ccccc1
• InChI: InChI=1S/C19H26N4O2/c1-14(2)22-9-8-17-16(13-22)18(21-23(17)10-11-24)19(25)20-12-15-6-4-3-5-7-15/h3-7,14,24H,8-13H2,1-2H3,(H,20,25)
• InChIKey: PVTJFVCKUJRVBR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzyl-1-(2-hydroxyethyl)-5-(propan-2-yl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
• IUPAC Traditional name: N-benzyl-1-(2-hydroxyethyl)-5-isopropyl-4H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
• Synonyms: N-benzyl-1-(2-hydroxyethyl)-5-isopropyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.061046
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.72401184
• LogD (pH = 7.4): 0.94267434
• Log P: 1.3416116
• Molar Refractivity: 110.477 cm^3
• Polarizability: 37.398937 Å^3
• Polar Surface Area: 70.39 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 1.32
• LOG S: -3.49
• Polar Surface Area: 70.39 Å^2
• Rotatable Bonds: 5