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

• ChemBase ID: 685974
• Molecular Formular: C20H22N4O3
• Molecular Mass: 366.41368
• Monoisotopic Mass: 366.16919058
• SMILES: c1(n(c2c(c1)cc(cc2)OC)C)C(=O)N1Cc2n(c(cc2CC1)C(=O)N)C
• Canonical SMILES: COc1ccc2c(c1)cc(n2C)C(=O)N1CCc2c(C1)n(C)c(c2)C(=O)N
• InChI: InChI=1S/C20H22N4O3/c1-22-15-5-4-14(27-3)8-13(15)10-17(22)20(26)24-7-6-12-9-16(19(21)25)23(2)18(12)11-24/h4-5,8-10H,6-7,11H2,1-3H3,(H2,21,25)
• InChIKey: PYAHMOYWKJNHHN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.119246
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.1145703
• LogD (pH = 7.4): 1.1145705
• Log P: 1.1145705
• Molar Refractivity: 103.6648 cm^3
• Polarizability: 39.338306 Å^3
• Polar Surface Area: 82.49 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: 0.43
• LOG S: -2.24
• Polar Surface Area: 82.49 Å^2
• Rotatable Bonds: 3