1-(2-hydroxyethyl)-N-(1-phenylethyl)-5-(pyridin-4-ylmethyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide

• ChemBase ID: 823323
• Molecular Formular: C23H27N5O2
• Molecular Mass: 405.49278
• Monoisotopic Mass: 405.21647513
• SMILES: c12c(nn(c1CCN(C2)Cc1ccncc1)CCO)C(=O)NC(c1ccccc1)C
• Canonical SMILES: OCCn1nc(c2c1CCN(C2)Cc1ccncc1)C(=O)NC(c1ccccc1)C
• InChI: InChI=1S/C23H27N5O2/c1-17(19-5-3-2-4-6-19)25-23(30)22-20-16-27(15-18-7-10-24-11-8-18)12-9-21(20)28(26-22)13-14-29/h2-8,10-11,17,29H,9,12-16H2,1H3,(H,25,30)
• InChIKey: NPZICVSRBAKBLI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-hydroxyethyl)-N-(1-phenylethyl)-5-(pyridin-4-ylmethyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
• IUPAC Traditional name: 1-(2-hydroxyethyl)-N-(1-phenylethyl)-5-(pyridin-4-ylmethyl)-4H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
• Synonyms: 1-(2-hydroxyethyl)-N-(1-phenylethyl)-5-(4-pyridinylmethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.166892
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 0.24260394
• LogD (pH = 7.4): 1.4085368
• Log P: 1.4916043
• Molar Refractivity: 128.1841 cm^3
• Polarizability: 44.247932 Å^3
• Polar Surface Area: 83.28 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 2
• Log P: 1.29
• LOG S: -4.21
• Polar Surface Area: 83.28 Å^2
• Rotatable Bonds: 7