2-[(7,8-dimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl)methoxy]-1-pyrrolidin-1-ylethanone;2,2,2-trifluoroacetic acid

C17H25F3N4O4 — CID 155825441

About 2-[(7,8-dimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl)methoxy]-1-pyrrolidin-1-ylethanone;2,2,2-trifluoroacetic acid

2-[(7,8-dimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl)methoxy]-1-pyrrolidin-1-ylethanone;2,2,2-trifluoroacetic acid (PubChem CID 155825441) has the molecular formula C17H25F3N4O4 and a molecular weight of 406.41 g/mol. Its IUPAC name is 2-[(7,8-dimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl)methoxy]-1-pyrrolidin-1-ylethanone;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: 2-[(7,8-dimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl)methoxy]-1-pyrrolidin-1-ylethanone;2,2,2-trifluoroacetic acid
• PubChem CID: 155825441
• Molecular Formula: C17H25F3N4O4
• Molecular Weight: 406.41 g/mol
• Exact Mass: 406.18
• IUPAC Name: 2-[(7,8-dimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl)methoxy]-1-pyrrolidin-1-ylethanone;2,2,2-trifluoroacetic acid
• SMILES: CC1c2ncc(COCC(=O)N3CCCC3)n2CCN1C.O=C(O)C(F)(F)F
• InChI: InChI=1S/C15H24N4O2.C2HF3O2/c1-12-15-16-9-13(19(15)8-7-17(12)2)10-21-11-14(20)18-5-3-4-6-18;3-2(4,5)1(6)7/h9,12H,3-8,10-11H2,1-2H3;(H,6,7)
• InChIKey: YGPJBEMMRPDTFQ-UHFFFAOYSA-N
• XLogP: 1.66
• TPSA: 87.90 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	406.41
LogP ≤ 5	1.66
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[(7,8-dimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl)methoxy]-1-pyrrolidin-1-ylethanone;2,2,2-trifluoroacetic acid?

The IUPAC name of 2-[(7,8-dimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl)methoxy]-1-pyrrolidin-1-ylethanone;2,2,2-trifluoroacetic acid (CID 155825441) is 2-[(7,8-dimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl)methoxy]-1-pyrrolidin-1-ylethanone;2,2,2-trifluoroacetic acid.

What is the SMILES notation for 2-[(7,8-dimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl)methoxy]-1-pyrrolidin-1-ylethanone;2,2,2-trifluoroacetic acid?

The canonical SMILES for 2-[(7,8-dimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl)methoxy]-1-pyrrolidin-1-ylethanone;2,2,2-trifluoroacetic acid is CC1c2ncc(COCC(=O)N3CCCC3)n2CCN1C.O=C(O)C(F)(F)F.

What is the InChIKey of 2-[(7,8-dimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl)methoxy]-1-pyrrolidin-1-ylethanone;2,2,2-trifluoroacetic acid?

The InChIKey is YGPJBEMMRPDTFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2.C2HF3O2/c1-12-15-16-9-13(19(15)8-7-17(12)2)10-21-11-14(20)18-5-3-4-6-18;3-2(4,5)1(6)7/h9,12H,3-8,10-11H2,1-2H3;(H,6,7).

What are the key properties of 2-[(7,8-dimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl)methoxy]-1-pyrrolidin-1-ylethanone;2,2,2-trifluoroacetic acid?

2-[(7,8-dimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl)methoxy]-1-pyrrolidin-1-ylethanone;2,2,2-trifluoroacetic acid has a molecular weight of 406.41 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(7,8-dimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl)methoxy]-1-pyrrolidin-1-ylethanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155825441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).