N-(2,5-difluorophenyl)-5'-ethyl-7'-methylspiro[piperidine-4,4'-pyrrolo[1,2-a]quinoxaline]-1-carboxamide

C25H26F2N4O — CID 22580674

About N-(2,5-difluorophenyl)-5'-ethyl-7'-methylspiro[piperidine-4,4'-pyrrolo[1,2-a]quinoxaline]-1-carboxamide

N-(2,5-difluorophenyl)-5'-ethyl-7'-methylspiro[piperidine-4,4'-pyrrolo[1,2-a]quinoxaline]-1-carboxamide (PubChem CID 22580674) has the molecular formula C25H26F2N4O and a molecular weight of 436.51 g/mol. Its IUPAC name is N-(2,5-difluorophenyl)-5'-ethyl-7'-methylspiro[piperidine-4,4'-pyrrolo[1,2-a]quinoxaline]-1-carboxamide.

Molecular Properties

• Compound Name: N-(2,5-difluorophenyl)-5'-ethyl-7'-methylspiro[piperidine-4,4'-pyrrolo[1,2-a]quinoxaline]-1-carboxamide
• PubChem CID: 22580674
• Molecular Formula: C25H26F2N4O
• Molecular Weight: 436.51 g/mol
• Exact Mass: 436.21
• IUPAC Name: N-(2,5-difluorophenyl)-5'-ethyl-7'-methylspiro[piperidine-4,4'-pyrrolo[1,2-a]quinoxaline]-1-carboxamide
• SMILES: CCN1c2cc(C)ccc2-n2cccc2C12CCN(C(=O)Nc1cc(F)ccc1F)CC2
• InChI: InChI=1S/C25H26F2N4O/c1-3-31-22-15-17(2)6-9-21(22)30-12-4-5-23(30)25(31)10-13-29(14-11-25)24(32)28-20-16-18(26)7-8-19(20)27/h4-9,12,15-16H,3,10-11,13-14H2,1-2H3,(H,28,32)
• InChIKey: MCCNNDWJYGKCAM-UHFFFAOYSA-N
• XLogP: 5.43
• TPSA: 40.51 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	436.51
LogP ≤ 5	5.43
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-(2,5-difluorophenyl)-5'-ethyl-7'-methylspiro[piperidine-4,4'-pyrrolo[1,2-a]quinoxaline]-1-carboxamide?

The IUPAC name of N-(2,5-difluorophenyl)-5'-ethyl-7'-methylspiro[piperidine-4,4'-pyrrolo[1,2-a]quinoxaline]-1-carboxamide (CID 22580674) is N-(2,5-difluorophenyl)-5'-ethyl-7'-methylspiro[piperidine-4,4'-pyrrolo[1,2-a]quinoxaline]-1-carboxamide.

What is the SMILES notation for N-(2,5-difluorophenyl)-5'-ethyl-7'-methylspiro[piperidine-4,4'-pyrrolo[1,2-a]quinoxaline]-1-carboxamide?

The canonical SMILES for N-(2,5-difluorophenyl)-5'-ethyl-7'-methylspiro[piperidine-4,4'-pyrrolo[1,2-a]quinoxaline]-1-carboxamide is CCN1c2cc(C)ccc2-n2cccc2C12CCN(C(=O)Nc1cc(F)ccc1F)CC2.

What is the InChIKey of N-(2,5-difluorophenyl)-5'-ethyl-7'-methylspiro[piperidine-4,4'-pyrrolo[1,2-a]quinoxaline]-1-carboxamide?

The InChIKey is MCCNNDWJYGKCAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F2N4O/c1-3-31-22-15-17(2)6-9-21(22)30-12-4-5-23(30)25(31)10-13-29(14-11-25)24(32)28-20-16-18(26)7-8-19(20)27/h4-9,12,15-16H,3,10-11,13-14H2,1-2H3,(H,28,32).

What are the key properties of N-(2,5-difluorophenyl)-5'-ethyl-7'-methylspiro[piperidine-4,4'-pyrrolo[1,2-a]quinoxaline]-1-carboxamide?

N-(2,5-difluorophenyl)-5'-ethyl-7'-methylspiro[piperidine-4,4'-pyrrolo[1,2-a]quinoxaline]-1-carboxamide has a molecular weight of 436.51 g/mol, XLogP of 5.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,5-difluorophenyl)-5'-ethyl-7'-methylspiro[piperidine-4,4'-pyrrolo[1,2-a]quinoxaline]-1-carboxamide is sourced from PubChem (CID 22580674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).