2-[3-(2-cyclohexylethyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-5-carbonyl]pyrazine

• ChemBase ID: 597492
• Molecular Formular: C19H25N5O
• Molecular Mass: 339.4347
• Monoisotopic Mass: 339.20591045
• SMILES: c12CN(C(=O)c3nccnc3)CCc1[nH]nc2CCC1CCCCC1
• Canonical SMILES: O=C(c1cnccn1)N1CCc2c(C1)c(CCC1CCCCC1)n[nH]2
• InChI: InChI=1S/C19H25N5O/c25-19(18-12-20-9-10-21-18)24-11-8-17-15(13-24)16(22-23-17)7-6-14-4-2-1-3-5-14/h9-10,12,14H,1-8,11,13H2,(H,22,23)
• InChIKey: QFOGIGBROUZLTJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[3-(2-cyclohexylethyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-5-carbonyl]pyrazine
• IUPAC Traditional name: 2-[3-(2-cyclohexylethyl)-1H,4H,6H,7H-pyrazolo[4,3-c]pyridine-5-carbonyl]pyrazine
• Synonyms: 3-(2-cyclohexylethyl)-5-(pyrazin-2-ylcarbonyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.449982
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.8590477
• LogD (pH = 7.4): 1.8596241
• Log P: 1.8596315
• Molar Refractivity: 96.8113 cm^3
• Polarizability: 36.499424 Å^3
• Polar Surface Area: 74.77 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: 2.34
• LOG S: -3.67
• Polar Surface Area: 74.77 Å^2
• Rotatable Bonds: 4