6-cyclopropyl-N-[2-ethenoxy-1-[4-(trifluoromethoxy)phenyl]ethyl]-2-oxo-1,3-dihydropyrido[2,3-b]pyrazine-4-carboxamide

C22H21F3N4O4 — CID 162563368

About 6-cyclopropyl-N-[2-ethenoxy-1-[4-(trifluoromethoxy)phenyl]ethyl]-2-oxo-1,3-dihydropyrido[2,3-b]pyrazine-4-carboxamide

6-cyclopropyl-N-[2-ethenoxy-1-[4-(trifluoromethoxy)phenyl]ethyl]-2-oxo-1,3-dihydropyrido[2,3-b]pyrazine-4-carboxamide (PubChem CID 162563368) has the molecular formula C22H21F3N4O4 and a molecular weight of 462.43 g/mol. Its IUPAC name is 6-cyclopropyl-N-[2-ethenoxy-1-[4-(trifluoromethoxy)phenyl]ethyl]-2-oxo-1,3-dihydropyrido[2,3-b]pyrazine-4-carboxamide.

Molecular Properties

• Compound Name: 6-cyclopropyl-N-[2-ethenoxy-1-[4-(trifluoromethoxy)phenyl]ethyl]-2-oxo-1,3-dihydropyrido[2,3-b]pyrazine-4-carboxamide
• PubChem CID: 162563368
• Molecular Formula: C22H21F3N4O4
• Molecular Weight: 462.43 g/mol
• Exact Mass: 462.15
• IUPAC Name: 6-cyclopropyl-N-[2-ethenoxy-1-[4-(trifluoromethoxy)phenyl]ethyl]-2-oxo-1,3-dihydropyrido[2,3-b]pyrazine-4-carboxamide
• SMILES: C=COCC(NC(=O)N1CC(=O)Nc2ccc(C3CC3)nc21)c1ccc(OC(F)(F)F)cc1
• InChI: InChI=1S/C22H21F3N4O4/c1-2-32-12-18(14-5-7-15(8-6-14)33-22(23,24)25)28-21(31)29-11-19(30)26-17-10-9-16(13-3-4-13)27-20(17)29/h2,5-10,13,18H,1,3-4,11-12H2,(H,26,30)(H,28,31)
• InChIKey: GZJDUMZEJRGTGL-UHFFFAOYSA-N
• XLogP: 4.23
• TPSA: 92.79 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	462.43
LogP ≤ 5	4.23
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-[2-ethenoxy-1-[4-(trifluoromethoxy)phenyl]ethyl]-2-oxo-1,3-dihydropyrido[2,3-b]pyrazine-4-carboxamide?

The IUPAC name of 6-cyclopropyl-N-[2-ethenoxy-1-[4-(trifluoromethoxy)phenyl]ethyl]-2-oxo-1,3-dihydropyrido[2,3-b]pyrazine-4-carboxamide (CID 162563368) is 6-cyclopropyl-N-[2-ethenoxy-1-[4-(trifluoromethoxy)phenyl]ethyl]-2-oxo-1,3-dihydropyrido[2,3-b]pyrazine-4-carboxamide.

What is the SMILES notation for 6-cyclopropyl-N-[2-ethenoxy-1-[4-(trifluoromethoxy)phenyl]ethyl]-2-oxo-1,3-dihydropyrido[2,3-b]pyrazine-4-carboxamide?

The canonical SMILES for 6-cyclopropyl-N-[2-ethenoxy-1-[4-(trifluoromethoxy)phenyl]ethyl]-2-oxo-1,3-dihydropyrido[2,3-b]pyrazine-4-carboxamide is C=COCC(NC(=O)N1CC(=O)Nc2ccc(C3CC3)nc21)c1ccc(OC(F)(F)F)cc1.

What is the InChIKey of 6-cyclopropyl-N-[2-ethenoxy-1-[4-(trifluoromethoxy)phenyl]ethyl]-2-oxo-1,3-dihydropyrido[2,3-b]pyrazine-4-carboxamide?

The InChIKey is GZJDUMZEJRGTGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F3N4O4/c1-2-32-12-18(14-5-7-15(8-6-14)33-22(23,24)25)28-21(31)29-11-19(30)26-17-10-9-16(13-3-4-13)27-20(17)29/h2,5-10,13,18H,1,3-4,11-12H2,(H,26,30)(H,28,31).

What are the key properties of 6-cyclopropyl-N-[2-ethenoxy-1-[4-(trifluoromethoxy)phenyl]ethyl]-2-oxo-1,3-dihydropyrido[2,3-b]pyrazine-4-carboxamide?

6-cyclopropyl-N-[2-ethenoxy-1-[4-(trifluoromethoxy)phenyl]ethyl]-2-oxo-1,3-dihydropyrido[2,3-b]pyrazine-4-carboxamide has a molecular weight of 462.43 g/mol, XLogP of 4.23, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-cyclopropyl-N-[2-ethenoxy-1-[4-(trifluoromethoxy)phenyl]ethyl]-2-oxo-1,3-dihydropyrido[2,3-b]pyrazine-4-carboxamide is sourced from PubChem (CID 162563368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).