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

• ChemBase ID: 856741
• Molecular Formular: C24H21N5O
• Molecular Mass: 395.45644
• Monoisotopic Mass: 395.17461032
• SMILES: c12c(n[nH]c2CCN(C(=O)c2ncc(nc2)C)C1)c1ccc(cc1)c1ccccc1
• Canonical SMILES: Cc1cnc(cn1)C(=O)N1CCc2c(C1)c(n[nH]2)c1ccc(cc1)c1ccccc1
• InChI: InChI=1S/C24H21N5O/c1-16-13-26-22(14-25-16)24(30)29-12-11-21-20(15-29)23(28-27-21)19-9-7-18(8-10-19)17-5-3-2-4-6-17/h2-10,13-14H,11-12,15H2,1H3,(H,27,28)
• InChIKey: VAATWQJPNSSCMW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-5-[3-(4-phenylphenyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-5-carbonyl]pyrazine
• IUPAC Traditional name: 2-methyl-5-[3-(4-phenylphenyl)-1H,4H,6H,7H-pyrazolo[4,3-c]pyridine-5-carbonyl]pyrazine
• Synonyms: 3-biphenyl-4-yl-5-[(5-methylpyrazin-2-yl)carbonyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.064689
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.7931662
• LogD (pH = 7.4): 2.793259
• Log P: 2.79326
• Molar Refractivity: 116.3334 cm^3
• Polarizability: 46.281883 Å^3
• Polar Surface Area: 74.77 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.88
• LOG S: -4.54
• Polar Surface Area: 74.77 Å^2
• Rotatable Bonds: 3