1-methyl-5-[2-(2-methylphenyl)acetyl]-N-[3-(morpholin-4-yl)propyl]-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide

• ChemBase ID: 438481
• Molecular Formular: C24H33N5O3
• Molecular Mass: 439.55052
• Monoisotopic Mass: 439.25833994
• SMILES: c12c(nn(c1CCN(C2)C(=O)Cc1c(C)cccc1)C)C(=O)NCCCN1CCOCC1
• Canonical SMILES: O=C(N1CCc2c(C1)c(nn2C)C(=O)NCCCN1CCOCC1)Cc1ccccc1C
• InChI: InChI=1S/C24H33N5O3/c1-18-6-3-4-7-19(18)16-22(30)29-11-8-21-20(17-29)23(26-27(21)2)24(31)25-9-5-10-28-12-14-32-15-13-28/h3-4,6-7H,5,8-17H2,1-2H3,(H,25,31)
• InChIKey: HISDGQCLDONXGW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methyl-5-[2-(2-methylphenyl)acetyl]-N-[3-(morpholin-4-yl)propyl]-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
• IUPAC Traditional name: 1-methyl-5-[2-(2-methylphenyl)acetyl]-N-[3-(morpholin-4-yl)propyl]-4H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
• Synonyms: 1-methyl-5-[(2-methylphenyl)acetyl]-N-[3-(4-morpholinyl)propyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.004218
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -0.44080624
• LogD (pH = 7.4): 0.8503592
• Log P: 0.96861684
• Molar Refractivity: 136.398 cm^3
• Polarizability: 47.172935 Å^3
• Polar Surface Area: 79.7 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 2.6
• LOG S: -4.03
• Polar Surface Area: 79.7 Å^2
• Rotatable Bonds: 7