5-(6-methoxy-2-oxo-1,2,3,4-tetrahydroquinoline-4-carbonyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide

• ChemBase ID: 673854
• Molecular Formular: C18H19N5O4
• Molecular Mass: 369.37456
• Monoisotopic Mass: 369.14370411
• SMILES: c12c(n[nH]c2CCN(C(=O)C2c3c(NC(=O)C2)ccc(c3)OC)C1)C(=O)N
• Canonical SMILES: COc1ccc2c(c1)C(CC(=O)N2)C(=O)N1CCc2c(C1)c(n[nH]2)C(=O)N
• InChI: InChI=1S/C18H19N5O4/c1-27-9-2-3-13-10(6-9)11(7-15(24)20-13)18(26)23-5-4-14-12(8-23)16(17(19)25)22-21-14/h2-3,6,11H,4-5,7-8H2,1H3,(H2,19,25)(H,20,24)(H,21,22)
• InChIKey: ZVLPXUOAQHFAMP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(6-methoxy-2-oxo-1,2,3,4-tetrahydroquinoline-4-carbonyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
• IUPAC Traditional name: 5-(6-methoxy-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)-1H,4H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
• Synonyms: 5-[(6-methoxy-2-oxo-1,2,3,4-tetrahydro-4-quinolinyl)carbonyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 8.077763
• H Acceptors: 5
• H Donor: 3
• LogD (pH = 5.5): -0.7826822
• LogD (pH = 7.4): -0.8621263
• Log P: -0.7815625
• Molar Refractivity: 98.8085 cm^3
• Polarizability: 36.026875 Å^3
• Polar Surface Area: 130.41 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 3
• Log P: -0.68
• LOG S: -2.62
• Polar Surface Area: 130.41 Å^2
• Rotatable Bonds: 3