4-{3-ethyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl}-N-(4-methylpyridin-2-yl)-4-oxobutanamide

• ChemBase ID: 759432
• Molecular Formular: C18H23N5O2
• Molecular Mass: 341.40752
• Monoisotopic Mass: 341.185175
• SMILES: c12c([nH]nc2CC)CCN(C1)C(=O)CCC(=O)Nc1nccc(c1)C
• Canonical SMILES: CCc1n[nH]c2c1CN(CC2)C(=O)CCC(=O)Nc1nccc(c1)C
• InChI: InChI=1S/C18H23N5O2/c1-3-14-13-11-23(9-7-15(13)22-21-14)18(25)5-4-17(24)20-16-10-12(2)6-8-19-16/h6,8,10H,3-5,7,9,11H2,1-2H3,(H,21,22)(H,19,20,24)
• InChIKey: CAIIUWBRKCZTNO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{3-ethyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl}-N-(4-methylpyridin-2-yl)-4-oxobutanamide
• IUPAC Traditional name: 4-{3-ethyl-1H,4H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl}-N-(4-methylpyridin-2-yl)-4-oxobutanamide
• Synonyms: 4-(3-ethyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl)-N-(4-methylpyridin-2-yl)-4-oxobutanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.093407
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.0753646
• LogD (pH = 7.4): 1.1570215
• Log P: 1.1581862
• Molar Refractivity: 97.4436 cm^3
• Polarizability: 35.78508 Å^3
• Polar Surface Area: 90.98 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 0.93
• LOG S: -2.49
• Polar Surface Area: 90.98 Å^2
• Rotatable Bonds: 5