[3-[2-[[(1R,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]amino]ethyl]-1H-indol-7-yl]-morpholin-4-ylmethanone;2,2,2-trifluoroacetic acid

C26H30F3N3O6 — CID 69460233

About [3-[2-[[(1R,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]amino]ethyl]-1H-indol-7-yl]-morpholin-4-ylmethanone;2,2,2-trifluoroacetic acid

[3-[2-[[(1R,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]amino]ethyl]-1H-indol-7-yl]-morpholin-4-ylmethanone;2,2,2-trifluoroacetic acid (PubChem CID 69460233) has the molecular formula C26H30F3N3O6 and a molecular weight of 537.54 g/mol. Its IUPAC name is [3-[2-[[(1R,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]amino]ethyl]-1H-indol-7-yl]-morpholin-4-ylmethanone;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: [3-[2-[[(1R,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]amino]ethyl]-1H-indol-7-yl]-morpholin-4-ylmethanone;2,2,2-trifluoroacetic acid
• PubChem CID: 69460233
• Molecular Formula: C26H30F3N3O6
• Molecular Weight: 537.54 g/mol
• Exact Mass: 537.21
• IUPAC Name: [3-[2-[[(1R,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]amino]ethyl]-1H-indol-7-yl]-morpholin-4-ylmethanone;2,2,2-trifluoroacetic acid
• SMILES: C[C@H](NCCc1c[nH]c2c(C(=O)N3CCOCC3)cccc12)[C@H](O)c1ccc(O)cc1.O=C(O)C(F)(F)F
• InChI: InChI=1S/C24H29N3O4.C2HF3O2/c1-16(23(29)17-5-7-19(28)8-6-17)25-10-9-18-15-26-22-20(18)3-2-4-21(22)24(30)27-11-13-31-14-12-27;3-2(4,5)1(6)7/h2-8,15-16,23,25-26,28-29H,9-14H2,1H3;(H,6,7)/t16-,23-;/m0./s1
• InChIKey: FQRBZMKAOAWFCZ-KYRGBVPUSA-N
• XLogP: 3.23
• TPSA: 135.12 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	537.54
LogP ≤ 5	3.23
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [3-[2-[[(1R,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]amino]ethyl]-1H-indol-7-yl]-morpholin-4-ylmethanone;2,2,2-trifluoroacetic acid?

The IUPAC name of [3-[2-[[(1R,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]amino]ethyl]-1H-indol-7-yl]-morpholin-4-ylmethanone;2,2,2-trifluoroacetic acid (CID 69460233) is [3-[2-[[(1R,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]amino]ethyl]-1H-indol-7-yl]-morpholin-4-ylmethanone;2,2,2-trifluoroacetic acid.

What is the SMILES notation for [3-[2-[[(1R,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]amino]ethyl]-1H-indol-7-yl]-morpholin-4-ylmethanone;2,2,2-trifluoroacetic acid?

The canonical SMILES for [3-[2-[[(1R,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]amino]ethyl]-1H-indol-7-yl]-morpholin-4-ylmethanone;2,2,2-trifluoroacetic acid is C[C@H](NCCc1c[nH]c2c(C(=O)N3CCOCC3)cccc12)[C@H](O)c1ccc(O)cc1.O=C(O)C(F)(F)F.

What is the InChIKey of [3-[2-[[(1R,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]amino]ethyl]-1H-indol-7-yl]-morpholin-4-ylmethanone;2,2,2-trifluoroacetic acid?

The InChIKey is FQRBZMKAOAWFCZ-KYRGBVPUSA-N. The full InChI is InChI=1S/C24H29N3O4.C2HF3O2/c1-16(23(29)17-5-7-19(28)8-6-17)25-10-9-18-15-26-22-20(18)3-2-4-21(22)24(30)27-11-13-31-14-12-27;3-2(4,5)1(6)7/h2-8,15-16,23,25-26,28-29H,9-14H2,1H3;(H,6,7)/t16-,23-;/m0./s1.

What are the key properties of [3-[2-[[(1R,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]amino]ethyl]-1H-indol-7-yl]-morpholin-4-ylmethanone;2,2,2-trifluoroacetic acid?

[3-[2-[[(1R,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]amino]ethyl]-1H-indol-7-yl]-morpholin-4-ylmethanone;2,2,2-trifluoroacetic acid has a molecular weight of 537.54 g/mol, XLogP of 3.23, 7 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[2-[[(1R,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]amino]ethyl]-1H-indol-7-yl]-morpholin-4-ylmethanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 69460233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).