N-[3-(1H-indol-1-yl)propyl]-5-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide

• ChemBase ID: 360223
• Molecular Formular: C19H23N5O
• Molecular Mass: 337.41882
• Monoisotopic Mass: 337.19026038
• SMILES: c12c(n[nH]c1CCN(C2)C)C(=O)NCCCn1ccc2c1cccc2
• Canonical SMILES: CN1CCc2c(C1)c(n[nH]2)C(=O)NCCCn1ccc2c1cccc2
• InChI: InChI=1S/C19H23N5O/c1-23-11-8-16-15(13-23)18(22-21-16)19(25)20-9-4-10-24-12-7-14-5-2-3-6-17(14)24/h2-3,5-7,12H,4,8-11,13H2,1H3,(H,20,25)(H,21,22)
• InChIKey: HLIVTVSLKNBYNO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(1H-indol-1-yl)propyl]-5-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
• IUPAC Traditional name: N-[3-(indol-1-yl)propyl]-5-methyl-1H,4H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
• Synonyms: N-[3-(1H-indol-1-yl)propyl]-5-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.032492
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.05347425
• LogD (pH = 7.4): 1.3961726
• Log P: 1.5041621
• Molar Refractivity: 100.1263 cm^3
• Polarizability: 38.386105 Å^3
• Polar Surface Area: 65.95 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 1.03
• LOG S: -2.54
• Polar Surface Area: 65.95 Å^2
• Rotatable Bonds: 5