2-[8-amino-3-[2-methyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]imidazo[1,2-a]pyrazin-6-yl]-1-morpholin-4-ylethanone;2,2,2-trifluoroacetic acid

C24H25F6N5O5 — CID 138619508

About 2-[8-amino-3-[2-methyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]imidazo[1,2-a]pyrazin-6-yl]-1-morpholin-4-ylethanone;2,2,2-trifluoroacetic acid

2-[8-amino-3-[2-methyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]imidazo[1,2-a]pyrazin-6-yl]-1-morpholin-4-ylethanone;2,2,2-trifluoroacetic acid (PubChem CID 138619508) has the molecular formula C24H25F6N5O5 and a molecular weight of 577.48 g/mol. Its IUPAC name is 2-[8-amino-3-[2-methyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]imidazo[1,2-a]pyrazin-6-yl]-1-morpholin-4-ylethanone;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: 2-[8-amino-3-[2-methyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]imidazo[1,2-a]pyrazin-6-yl]-1-morpholin-4-ylethanone;2,2,2-trifluoroacetic acid
• PubChem CID: 138619508
• Molecular Formula: C24H25F6N5O5
• Molecular Weight: 577.48 g/mol
• Exact Mass: 577.18
• IUPAC Name: 2-[8-amino-3-[2-methyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]imidazo[1,2-a]pyrazin-6-yl]-1-morpholin-4-ylethanone;2,2,2-trifluoroacetic acid
• SMILES: Cc1ccc(C(C)(O)C(F)(F)F)cc1-c1cnc2c(N)nc(CC(=O)N3CCOCC3)cn12.O=C(O)C(F)(F)F
• InChI: InChI=1S/C22H24F3N5O3.C2HF3O2/c1-13-3-4-14(21(2,32)22(23,24)25)9-16(13)17-11-27-20-19(26)28-15(12-30(17)20)10-18(31)29-5-7-33-8-6-29;3-2(4,5)1(6)7/h3-4,9,11-12,32H,5-8,10H2,1-2H3,(H2,26,28);(H,6,7)
• InChIKey: NNBRUFXIHUIZAE-UHFFFAOYSA-N
• XLogP: 3.09
• TPSA: 143.28 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	577.48
LogP ≤ 5	3.09
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[8-amino-3-[2-methyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]imidazo[1,2-a]pyrazin-6-yl]-1-morpholin-4-ylethanone;2,2,2-trifluoroacetic acid?

The IUPAC name of 2-[8-amino-3-[2-methyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]imidazo[1,2-a]pyrazin-6-yl]-1-morpholin-4-ylethanone;2,2,2-trifluoroacetic acid (CID 138619508) is 2-[8-amino-3-[2-methyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]imidazo[1,2-a]pyrazin-6-yl]-1-morpholin-4-ylethanone;2,2,2-trifluoroacetic acid.

What is the SMILES notation for 2-[8-amino-3-[2-methyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]imidazo[1,2-a]pyrazin-6-yl]-1-morpholin-4-ylethanone;2,2,2-trifluoroacetic acid?

The canonical SMILES for 2-[8-amino-3-[2-methyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]imidazo[1,2-a]pyrazin-6-yl]-1-morpholin-4-ylethanone;2,2,2-trifluoroacetic acid is Cc1ccc(C(C)(O)C(F)(F)F)cc1-c1cnc2c(N)nc(CC(=O)N3CCOCC3)cn12.O=C(O)C(F)(F)F.

What is the InChIKey of 2-[8-amino-3-[2-methyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]imidazo[1,2-a]pyrazin-6-yl]-1-morpholin-4-ylethanone;2,2,2-trifluoroacetic acid?

The InChIKey is NNBRUFXIHUIZAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F3N5O3.C2HF3O2/c1-13-3-4-14(21(2,32)22(23,24)25)9-16(13)17-11-27-20-19(26)28-15(12-30(17)20)10-18(31)29-5-7-33-8-6-29;3-2(4,5)1(6)7/h3-4,9,11-12,32H,5-8,10H2,1-2H3,(H2,26,28);(H,6,7).

What are the key properties of 2-[8-amino-3-[2-methyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]imidazo[1,2-a]pyrazin-6-yl]-1-morpholin-4-ylethanone;2,2,2-trifluoroacetic acid?

2-[8-amino-3-[2-methyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]imidazo[1,2-a]pyrazin-6-yl]-1-morpholin-4-ylethanone;2,2,2-trifluoroacetic acid has a molecular weight of 577.48 g/mol, XLogP of 3.09, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[8-amino-3-[2-methyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]imidazo[1,2-a]pyrazin-6-yl]-1-morpholin-4-ylethanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 138619508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).