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

• ChemBase ID: 539956
• Molecular Formular: C19H21FN6O
• Molecular Mass: 368.4080432
• Monoisotopic Mass: 368.17608754
• SMILES: c1(c2c([nH]n1)CCN(C2)C)C(=O)N(Cc1cn(nc1)c1ccc(cc1)F)C
• Canonical SMILES: CN1CCc2c(C1)c(n[nH]2)C(=O)N(Cc1cnn(c1)c1ccc(cc1)F)C
• InChI: InChI=1S/C19H21FN6O/c1-24-8-7-17-16(12-24)18(23-22-17)19(27)25(2)10-13-9-21-26(11-13)15-5-3-14(20)4-6-15/h3-6,9,11H,7-8,10,12H2,1-2H3,(H,22,23)
• InChIKey: XMOFASQJIIMPOC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.900541
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.01157383
• LogD (pH = 7.4): 1.4193465
• Log P: 1.586851
• Molar Refractivity: 103.2761 cm^3
• Polarizability: 38.08364 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: -0.09
• LOG S: -3.12
• Polar Surface Area: 70.05 Å^2
• Rotatable Bonds: 4