N-[2-(2,3-dihydro-1H-indol-1-yl)ethyl]-5-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide

• ChemBase ID: 327511
• Molecular Formular: C18H23N5O
• Molecular Mass: 325.40812
• Monoisotopic Mass: 325.19026038
• SMILES: c12c(n[nH]c1CCN(C2)C)C(=O)NCCN1c2c(CC1)cccc2
• Canonical SMILES: CN1CCc2c(C1)c(n[nH]2)C(=O)NCCN1CCc2c1cccc2
• InChI: InChI=1S/C18H23N5O/c1-22-9-7-15-14(12-22)17(21-20-15)18(24)19-8-11-23-10-6-13-4-2-3-5-16(13)23/h2-5H,6-12H2,1H3,(H,19,24)(H,20,21)
• InChIKey: NKKNNFSFQUDQEF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(2,3-dihydro-1H-indol-1-yl)ethyl]-5-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
• IUPAC Traditional name: N-[2-(2,3-dihydroindol-1-yl)ethyl]-5-methyl-1H,4H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
• Synonyms: N-[2-(2,3-dihydro-1H-indol-1-yl)ethyl]-5-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.026978
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.29524142
• LogD (pH = 7.4): 1.1615382
• Log P: 1.2692653
• Molar Refractivity: 97.0159 cm^3
• Polarizability: 35.354515 Å^3
• Polar Surface Area: 64.26 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 0.23
• LOG S: -3.08
• Polar Surface Area: 64.26 Å^2
• Rotatable Bonds: 4