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

• ChemBase ID: 521591
• Molecular Formular: C20H24N6O
• Molecular Mass: 364.44416
• Monoisotopic Mass: 364.20115942
• SMILES: c1(c2c([nH]n1)CCN(C2)Cc1c(cc(n2nccc2)cc1)C)C(=O)N(C)C
• Canonical SMILES: CN(C(=O)c1n[nH]c2c1CN(CC2)Cc1ccc(cc1C)n1cccn1)C
• InChI: InChI=1S/C20H24N6O/c1-14-11-16(26-9-4-8-21-26)6-5-15(14)12-25-10-7-18-17(13-25)19(23-22-18)20(27)24(2)3/h4-6,8-9,11H,7,10,12-13H2,1-3H3,(H,22,23)
• InChIKey: MKAJYQCBICSPID-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.943977
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.03894186
• LogD (pH = 7.4): 1.6429044
• Log P: 1.9575706
• Molar Refractivity: 108.1009 cm^3
• Polarizability: 40.172802 Å^3
• Polar Surface Area: 70.05 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: -0.03
• LOG S: -3.14
• Polar Surface Area: 70.05 Å^2
• Rotatable Bonds: 4