5-{[5-methoxy-2-(1H-pyrazol-1-yl)phenyl]methyl}-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide

• ChemBase ID: 555490
• Molecular Formular: C19H22N6O2
• Molecular Mass: 366.41698
• Monoisotopic Mass: 366.18042397
• SMILES: c12c(nn(c1CCN(C2)Cc1c(n2nccc2)ccc(c1)OC)C)C(=O)N
• Canonical SMILES: COc1ccc(c(c1)CN1CCc2c(C1)c(nn2C)C(=O)N)n1cccn1
• InChI: InChI=1S/C19H22N6O2/c1-23-17-6-9-24(12-15(17)18(22-23)19(20)26)11-13-10-14(27-2)4-5-16(13)25-8-3-7-21-25/h3-5,7-8,10H,6,9,11-12H2,1-2H3,(H2,20,26)
• InChIKey: HOVYLLYQCQQPDA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-{[5-methoxy-2-(1H-pyrazol-1-yl)phenyl]methyl}-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
• IUPAC Traditional name: 5-{[5-methoxy-2-(pyrazol-1-yl)phenyl]methyl}-1-methyl-4H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
• Synonyms: 5-[5-methoxy-2-(1H-pyrazol-1-yl)benzyl]-1-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.65209
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -0.6657874
• LogD (pH = 7.4): 0.7782495
• Log P: 0.96280175
• Molar Refractivity: 114.9455 cm^3
• Polarizability: 39.009666 Å^3
• Polar Surface Area: 91.2 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: -0.42
• LOG S: -2.82
• Polar Surface Area: 91.2 Å^2
• Rotatable Bonds: 5