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

• ChemBase ID: 433783
• Molecular Formular: C24H21N5O
• Molecular Mass: 395.45644
• Monoisotopic Mass: 395.17461032
• SMILES: c12c(n[nH]c2CCN(C(=O)c2nccnc2)C1)C(c1ccccc1)c1ccccc1
• Canonical SMILES: O=C(c1cnccn1)N1CCc2c(C1)c(n[nH]2)C(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C24H21N5O/c30-24(21-15-25-12-13-26-21)29-14-11-20-19(16-29)23(28-27-20)22(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,12-13,15,22H,11,14,16H2,(H,27,28)
• InChIKey: GPKCWPFYADKMMC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.055941
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.6239562
• LogD (pH = 7.4): 2.6240876
• Log P: 2.6240892
• Molar Refractivity: 115.8244 cm^3
• Polarizability: 43.5115 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: 2.17
• LOG S: -5.3
• Polar Surface Area: 74.77 Å^2
• Rotatable Bonds: 4