7-{2H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-ylmethyl}-1H-indole

• ChemBase ID: 665427
• Molecular Formular: C15H16N4
• Molecular Mass: 252.31434
• Monoisotopic Mass: 252.13749653
• SMILES: c12c(n[nH]c2)CCN(C1)Cc1c2[nH]ccc2ccc1
• Canonical SMILES: [nH]1nc2c(c1)CN(CC2)Cc1cccc2c1[nH]cc2
• InChI: InChI=1S/C15H16N4/c1-2-11-4-6-16-15(11)12(3-1)9-19-7-5-14-13(10-19)8-17-18-14/h1-4,6,8,16H,5,7,9-10H2,(H,17,18)
• InChIKey: ZUNAHCZLZUNBFP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-{2H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-ylmethyl}-1H-indole
• IUPAC Traditional name: 7-{2H,4H,6H,7H-pyrazolo[4,3-c]pyridin-5-ylmethyl}-1H-indole
• Synonyms: 5-(1H-indol-7-ylmethyl)-4,5,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridine

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.76469
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.16586493
• LogD (pH = 7.4): 1.5652945
• Log P: 2.1117737
• Molar Refractivity: 76.719 cm^3
• Polarizability: 30.05379 Å^3
• Polar Surface Area: 47.71 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 2
• Log P: 1.52
• LOG S: -1.33
• Polar Surface Area: 47.71 Å^2
• Rotatable Bonds: 2