N'-{7-fluoropyrrolo[1,2-a]quinoxalin-4-yl}pyrazine-2-carbohydrazide

• ChemBase ID: 313057
• Molecular Formular: C16H11FN6O
• Molecular Mass: 322.2965432
• Monoisotopic Mass: 322.09783722
• SMILES: c1ccc2n1c1c(nc2NNC(=O)c2cnccn2)cc(cc1)F
• Canonical SMILES: Fc1ccc2c(c1)nc(c1n2ccc1)NNC(=O)c1cnccn1
• InChI: InChI=1S/C16H11FN6O/c17-10-3-4-13-11(8-10)20-15(14-2-1-7-23(13)14)21-22-16(24)12-9-18-5-6-19-12/h1-9H,(H,20,21)(H,22,24)
• InChIKey: UEADAWQSJOWXBK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N'-{7-fluoropyrrolo[1,2-a]quinoxalin-4-yl}pyrazine-2-carbohydrazide
• IUPAC Traditional name: N'-{7-fluoropyrrolo[1,2-a]quinoxalin-4-yl}pyrazine-2-carbohydrazide
• Synonyms: SC144

Database IDs

• CAS Number: 895158-95-9

CALCULATED PROPERTIES

• Acid pKa: 11.188534
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 1.4373229
• LogD (pH = 7.4): 1.4372612
• Log P: 1.4373239
• Molar Refractivity: 86.5426 cm^3
• Polarizability: 32.8965 Å^3
• Polar Surface Area: 84.21 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Pharmacology Properties

• Target: Others

Product Information

• Salt Data: Free Base