furan-3-yl-(11-pyrazin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone;2,2,2-trifluoroacetic acid

C20H23F3N4O5 — CID 155837244

About furan-3-yl-(11-pyrazin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone;2,2,2-trifluoroacetic acid

furan-3-yl-(11-pyrazin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone;2,2,2-trifluoroacetic acid (PubChem CID 155837244) has the molecular formula C20H23F3N4O5 and a molecular weight of 456.42 g/mol. Its IUPAC name is furan-3-yl-(11-pyrazin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: furan-3-yl-(11-pyrazin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone;2,2,2-trifluoroacetic acid
• PubChem CID: 155837244
• Molecular Formula: C20H23F3N4O5
• Molecular Weight: 456.42 g/mol
• Exact Mass: 456.16
• IUPAC Name: furan-3-yl-(11-pyrazin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone;2,2,2-trifluoroacetic acid
• SMILES: O=C(O)C(F)(F)F.O=C(c1ccoc1)N1CCCC2(COCCN(c3cnccn3)C2)C1
• InChI: InChI=1S/C18H22N4O3.C2HF3O2/c23-17(15-2-8-24-11-15)22-6-1-3-18(13-22)12-21(7-9-25-14-18)16-10-19-4-5-20-16;3-2(4,5)1(6)7/h2,4-5,8,10-11H,1,3,6-7,9,12-14H2;(H,6,7)
• InChIKey: DKVCARYNVIZDTD-UHFFFAOYSA-N
• XLogP: 2.46
• TPSA: 109.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 2
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	456.42
LogP ≤ 5	2.46
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of furan-3-yl-(11-pyrazin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone;2,2,2-trifluoroacetic acid?

The IUPAC name of furan-3-yl-(11-pyrazin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone;2,2,2-trifluoroacetic acid (CID 155837244) is furan-3-yl-(11-pyrazin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone;2,2,2-trifluoroacetic acid.

What is the SMILES notation for furan-3-yl-(11-pyrazin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone;2,2,2-trifluoroacetic acid?

The canonical SMILES for furan-3-yl-(11-pyrazin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.O=C(c1ccoc1)N1CCCC2(COCCN(c3cnccn3)C2)C1.

What is the InChIKey of furan-3-yl-(11-pyrazin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone;2,2,2-trifluoroacetic acid?

The InChIKey is DKVCARYNVIZDTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3.C2HF3O2/c23-17(15-2-8-24-11-15)22-6-1-3-18(13-22)12-21(7-9-25-14-18)16-10-19-4-5-20-16;3-2(4,5)1(6)7/h2,4-5,8,10-11H,1,3,6-7,9,12-14H2;(H,6,7).

What are the key properties of furan-3-yl-(11-pyrazin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone;2,2,2-trifluoroacetic acid?

furan-3-yl-(11-pyrazin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone;2,2,2-trifluoroacetic acid has a molecular weight of 456.42 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for furan-3-yl-(11-pyrazin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155837244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).