N,N-dimethyl-5-{2-oxo-1-oxaspiro[4.5]decane-4-carbonyl}-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide

• ChemBase ID: 821039
• Molecular Formular: C19H26N4O4
• Molecular Mass: 374.43414
• Monoisotopic Mass: 374.19540533
• SMILES: c1(c2CN(C(=O)C3C4(OC(=O)C3)CCCCC4)CCc2[nH]n1)C(=O)N(C)C
• Canonical SMILES: O=C1CC(C2(O1)CCCCC2)C(=O)N1CCc2c(C1)c(n[nH]2)C(=O)N(C)C
• InChI: InChI=1S/C19H26N4O4/c1-22(2)18(26)16-12-11-23(9-6-14(12)20-21-16)17(25)13-10-15(24)27-19(13)7-4-3-5-8-19/h13H,3-11H2,1-2H3,(H,20,21)
• InChIKey: KZWHCDRTBHUPAX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethyl-5-{2-oxo-1-oxaspiro[4.5]decane-4-carbonyl}-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
• IUPAC Traditional name: N,N-dimethyl-5-{2-oxo-1-oxaspiro[4.5]decane-4-carbonyl}-1H,4H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
• Synonyms: N,N-dimethyl-5-[(2-oxo-1-oxaspiro[4.5]dec-4-yl)carbonyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.3172
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.33533257
• LogD (pH = 7.4): 0.3348277
• Log P: 0.33534005
• Molar Refractivity: 99.0107 cm^3
• Polarizability: 37.47736 Å^3
• Polar Surface Area: 95.6 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: -1.33
• LOG S: -2.1
• Polar Surface Area: 95.6 Å^2
• Rotatable Bonds: 2