2-{3-cyclobutyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-5-carbonyl}-6-methoxy-1-methyl-1H-indole

• ChemBase ID: 402460
• Molecular Formular: C21H24N4O2
• Molecular Mass: 364.44086
• Monoisotopic Mass: 364.18992603
• SMILES: c1(n(c2c(c1)ccc(c2)OC)C)C(=O)N1Cc2c(n[nH]c2CC1)C1CCC1
• Canonical SMILES: COc1ccc2c(c1)n(C)c(c2)C(=O)N1CCc2c(C1)c(n[nH]2)C1CCC1
• InChI: InChI=1S/C21H24N4O2/c1-24-18-11-15(27-2)7-6-14(18)10-19(24)21(26)25-9-8-17-16(12-25)20(23-22-17)13-4-3-5-13/h6-7,10-11,13H,3-5,8-9,12H2,1-2H3,(H,22,23)
• InChIKey: RFMPFZDOOXONLP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{3-cyclobutyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-5-carbonyl}-6-methoxy-1-methyl-1H-indole
• IUPAC Traditional name: 2-{3-cyclobutyl-1H,4H,6H,7H-pyrazolo[4,3-c]pyridine-5-carbonyl}-6-methoxy-1-methylindole
• Synonyms: 3-cyclobutyl-5-[(6-methoxy-1-methyl-1H-indol-2-yl)carbonyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.372424
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.471155
• LogD (pH = 7.4): 2.471581
• Log P: 2.4715865
• Molar Refractivity: 105.4429 cm^3
• Polarizability: 40.394978 Å^3
• Polar Surface Area: 63.15 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.9
• LOG S: -4.33
• Polar Surface Area: 63.15 Å^2
• Rotatable Bonds: 3