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

C20H26F4N4O5 — CID 155869757

About 2-[[7-(1-fluorocyclopropanecarbonyl)-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-(1-fluorocyclopropanecarbonyl)-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 155869757) has the molecular formula C20H26F4N4O5 and a molecular weight of 478.44 g/mol. Its IUPAC name is 2-[[7-(1-fluorocyclopropanecarbonyl)-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-(1-fluorocyclopropanecarbonyl)-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: 155869757
• Molecular Formula: C20H26F4N4O5
• Molecular Weight: 478.44 g/mol
• Exact Mass: 478.18
• IUPAC Name: 2-[[7-(1-fluorocyclopropanecarbonyl)-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)n2CCN1C(=O)C1(F)CC1.O=C(O)C(F)(F)F
• InChI: InChI=1S/C18H25FN4O3.C2HF3O2/c1-13-16-20-10-14(11-26-12-15(24)21-6-2-3-7-21)23(16)9-8-22(13)17(25)18(19)4-5-18;3-2(4,5)1(6)7/h10,13H,2-9,11-12H2,1H3;(H,6,7)
• InChIKey: QSZGKRCEVZFRAT-UHFFFAOYSA-N
• XLogP: 2.06
• TPSA: 104.97 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	478.44
LogP ≤ 5	2.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[[7-(1-fluorocyclopropanecarbonyl)-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-(1-fluorocyclopropanecarbonyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methoxy]-1-pyrrolidin-1-ylethanone;2,2,2-trifluoroacetic acid (CID 155869757) is 2-[[7-(1-fluorocyclopropanecarbonyl)-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-(1-fluorocyclopropanecarbonyl)-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-(1-fluorocyclopropanecarbonyl)-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)n2CCN1C(=O)C1(F)CC1.O=C(O)C(F)(F)F.

What is the InChIKey of 2-[[7-(1-fluorocyclopropanecarbonyl)-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 QSZGKRCEVZFRAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN4O3.C2HF3O2/c1-13-16-20-10-14(11-26-12-15(24)21-6-2-3-7-21)23(16)9-8-22(13)17(25)18(19)4-5-18;3-2(4,5)1(6)7/h10,13H,2-9,11-12H2,1H3;(H,6,7).

What are the key properties of 2-[[7-(1-fluorocyclopropanecarbonyl)-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-(1-fluorocyclopropanecarbonyl)-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 478.44 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[7-(1-fluorocyclopropanecarbonyl)-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 155869757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).