2-(2-{1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl}ethyl)-2H-indazole

• ChemBase ID: 740345
• Molecular Formular: C15H17N5
• Molecular Mass: 267.32898
• Monoisotopic Mass: 267.14839557
• SMILES: n1n(cc2c1cccc2)CCN1Cc2c([nH]nc2)CC1
• Canonical SMILES: n1cc2c([nH]1)CCN(C2)CCn1cc2c(n1)cccc2
• InChI: InChI=1S/C15H17N5/c1-2-4-15-12(3-1)11-20(18-15)8-7-19-6-5-14-13(10-19)9-16-17-14/h1-4,9,11H,5-8,10H2,(H,16,17)
• InChIKey: TVZCCYPGDRYMJF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.032026
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.9390192
• LogD (pH = 7.4): 0.82812697
• Log P: 1.5549227
• Molar Refractivity: 90.6562 cm^3
• Polarizability: 30.908129 Å^3
• Polar Surface Area: 49.74 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.63
• LOG S: -2.67
• Polar Surface Area: 49.74 Å^2
• Rotatable Bonds: 3