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

• ChemBase ID: 400530
• Molecular Formular: C19H21N5O2
• Molecular Mass: 351.40234
• Monoisotopic Mass: 351.16952494
• SMILES: c12c([nH]nc2CCN(C(=O)c2[nH]c3c(c2CC)cccc3)C1)C(=O)NC
• Canonical SMILES: CNC(=O)c1[nH]nc2c1CN(CC2)C(=O)c1[nH]c2c(c1CC)cccc2
• InChI: InChI=1S/C19H21N5O2/c1-3-11-12-6-4-5-7-14(12)21-17(11)19(26)24-9-8-15-13(10-24)16(23-22-15)18(25)20-2/h4-7,21H,3,8-10H2,1-2H3,(H,20,25)(H,22,23)
• InChIKey: RUNREABSPGYYQO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 8.653473
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): 1.3403744
• LogD (pH = 7.4): 1.3176938
• Log P: 1.340678
• Molar Refractivity: 100.4204 cm^3
• Polarizability: 37.850155 Å^3
• Polar Surface Area: 93.88 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 3
• Log P: 2.3
• LOG S: -3.73
• Polar Surface Area: 93.88 Å^2
• Rotatable Bonds: 3