2-{[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]amino}-5H,6H,7H-cyclopenta[b]pyridine-3-carboxamide

• ChemBase ID: 766533
• Molecular Formular: C15H19N5O
• Molecular Mass: 285.34426
• Monoisotopic Mass: 285.15896025
• SMILES: c1(c(nc2c(c1)CCC2)NCc1c(n(nc1)C)C)C(=O)N
• Canonical SMILES: NC(=O)c1cc2CCCc2nc1NCc1cnn(c1C)C
• InChI: InChI=1S/C15H19N5O/c1-9-11(8-18-20(9)2)7-17-15-12(14(16)21)6-10-4-3-5-13(10)19-15/h6,8H,3-5,7H2,1-2H3,(H2,16,21)(H,17,19)
• InChIKey: UUACBRCURXSUPW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]amino}-5H,6H,7H-cyclopenta[b]pyridine-3-carboxamide
• IUPAC Traditional name: 2-{[(1,5-dimethylpyrazol-4-yl)methyl]amino}-5H,6H,7H-cyclopenta[b]pyridine-3-carboxamide
• Synonyms: 2-{[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]amino}-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.094492
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.8365638
• LogD (pH = 7.4): 1.5332224
• Log P: 1.5569453
• Molar Refractivity: 94.6099 cm^3
• Polarizability: 29.827253 Å^3
• Polar Surface Area: 85.83 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 1.51
• LOG S: -2.57
• Polar Surface Area: 85.83 Å^2
• Rotatable Bonds: 4