5-[3-(2,3-dichlorophenyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-5-carbonyl]pyrazin-2-ol

• ChemBase ID: 556395
• Molecular Formular: C17H13Cl2N5O2
• Molecular Mass: 390.22342
• Monoisotopic Mass: 389.04463004
• SMILES: c12c(n[nH]c2CCN(C(=O)c2ncc(nc2)O)C1)c1c(c(Cl)ccc1)Cl
• Canonical SMILES: Oc1cnc(cn1)C(=O)N1CCc2c(C1)c(n[nH]2)c1cccc(c1Cl)Cl
• InChI: InChI=1S/C17H13Cl2N5O2/c18-11-3-1-2-9(15(11)19)16-10-8-24(5-4-12(10)22-23-16)17(26)13-6-21-14(25)7-20-13/h1-3,6-7H,4-5,8H2,(H,21,25)(H,22,23)
• InChIKey: PENGKDOXXDULCF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-[3-(2,3-dichlorophenyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-5-carbonyl]pyrazin-2-ol
• IUPAC Traditional name: 5-[3-(2,3-dichlorophenyl)-1H,4H,6H,7H-pyrazolo[4,3-c]pyridine-5-carbonyl]pyrazin-2-ol
• Synonyms: 5-{[3-(2,3-dichlorophenyl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]carbonyl}pyrazin-2-ol

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.691823
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 2.5135705
• LogD (pH = 7.4): 2.5114658
• Log P: 2.5136461
• Molar Refractivity: 98.5097 cm^3
• Polarizability: 37.970356 Å^3
• Polar Surface Area: 95.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 2.75
• LOG S: -4.39
• Polar Surface Area: 95.0 Å^2
• Rotatable Bonds: 2