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

C20H29F3N4O4 — CID 155853629

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

2-[(7-cyclobutyl-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl)methoxy]-1-pyrrolidin-1-ylethanone;2,2,2-trifluoroacetic acid (PubChem CID 155853629) has the molecular formula C20H29F3N4O4 and a molecular weight of 446.47 g/mol. Its IUPAC name is 2-[(7-cyclobutyl-8-methyl-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-cyclobutyl-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl)methoxy]-1-pyrrolidin-1-ylethanone;2,2,2-trifluoroacetic acid
• PubChem CID: 155853629
• Molecular Formula: C20H29F3N4O4
• Molecular Weight: 446.47 g/mol
• Exact Mass: 446.21
• IUPAC Name: 2-[(7-cyclobutyl-8-methyl-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)n2CCN1C1CCC1.O=C(O)C(F)(F)F
• InChI: InChI=1S/C18H28N4O2.C2HF3O2/c1-14-18-19-11-16(12-24-13-17(23)20-7-2-3-8-20)22(18)10-9-21(14)15-5-4-6-15;3-2(4,5)1(6)7/h11,14-15H,2-10,12-13H2,1H3;(H,6,7)
• InChIKey: OEYDUQVQAFDAOA-UHFFFAOYSA-N
• XLogP: 2.58
• TPSA: 87.90 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	446.47
LogP ≤ 5	2.58
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[(7-cyclobutyl-8-methyl-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-cyclobutyl-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl)methoxy]-1-pyrrolidin-1-ylethanone;2,2,2-trifluoroacetic acid (CID 155853629) is 2-[(7-cyclobutyl-8-methyl-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-cyclobutyl-8-methyl-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-cyclobutyl-8-methyl-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)n2CCN1C1CCC1.O=C(O)C(F)(F)F.

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

The InChIKey is OEYDUQVQAFDAOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2.C2HF3O2/c1-14-18-19-11-16(12-24-13-17(23)20-7-2-3-8-20)22(18)10-9-21(14)15-5-4-6-15;3-2(4,5)1(6)7/h11,14-15H,2-10,12-13H2,1H3;(H,6,7).

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

2-[(7-cyclobutyl-8-methyl-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 446.47 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(7-cyclobutyl-8-methyl-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 155853629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).