(11-pyrazin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)-thiophen-2-ylmethanone;2,2,2-trifluoroacetic acid

C20H23F3N4O4S — CID 155846155

IUPAC(11-pyrazin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)-thiophen-2-ylmethanone;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=C(c1cccs1)N1CCCC2(COCCN(c3cnccn3)C2)C1
InChIInChI=1S/C18H22N4O2S.C2HF3O2/c23-17(15-3-1-10-25-15)22-7-2-4-18(13-22)12-21(8-9-24-14-18)16-11-19-5-6-20-16;3-2(4,5)1(6)7/h1,3,5-6,10-11H,2,4,7-9,12-14H2;(H,6,7)
InChIKeyIVKQGDOEROYOQB-UHFFFAOYSA-N
MW472.49 g/mol
LogP2.93
Rot. Bonds2

About (11-pyrazin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)-thiophen-2-ylmethanone;2,2,2-trifluoroacetic acid

(11-pyrazin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)-thiophen-2-ylmethanone;2,2,2-trifluoroacetic acid (PubChem CID 155846155) has the molecular formula C20H23F3N4O4S and a molecular weight of 472.49 g/mol. Its IUPAC name is (11-pyrazin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)-thiophen-2-ylmethanone;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name(11-pyrazin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)-thiophen-2-ylmethanone;2,2,2-trifluoroacetic acid
PubChem CID155846155
Molecular FormulaC20H23F3N4O4S
Molecular Weight472.49 g/mol
Exact Mass472.14
IUPAC Name(11-pyrazin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)-thiophen-2-ylmethanone;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=C(c1cccs1)N1CCCC2(COCCN(c3cnccn3)C2)C1
InChIInChI=1S/C18H22N4O2S.C2HF3O2/c23-17(15-3-1-10-25-15)22-7-2-4-18(13-22)12-21(8-9-24-14-18)16-11-19-5-6-20-16;3-2(4,5)1(6)7/h1,3,5-6,10-11H,2,4,7-9,12-14H2;(H,6,7)
InChIKeyIVKQGDOEROYOQB-UHFFFAOYSA-N
XLogP2.93
TPSA95.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.49
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (11-pyrazin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)-thiophen-2-ylmethanone;2,2,2-trifluoroacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (11-pyrazin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)-thiophen-2-ylmethanone;2,2,2-trifluoroacetic acid?
The IUPAC name of (11-pyrazin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)-thiophen-2-ylmethanone;2,2,2-trifluoroacetic acid (CID 155846155) is (11-pyrazin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)-thiophen-2-ylmethanone;2,2,2-trifluoroacetic acid.
What is the SMILES notation for (11-pyrazin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)-thiophen-2-ylmethanone;2,2,2-trifluoroacetic acid?
The canonical SMILES for (11-pyrazin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)-thiophen-2-ylmethanone;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.O=C(c1cccs1)N1CCCC2(COCCN(c3cnccn3)C2)C1.
What is the InChIKey of (11-pyrazin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)-thiophen-2-ylmethanone;2,2,2-trifluoroacetic acid?
The InChIKey is IVKQGDOEROYOQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2S.C2HF3O2/c23-17(15-3-1-10-25-15)22-7-2-4-18(13-22)12-21(8-9-24-14-18)16-11-19-5-6-20-16;3-2(4,5)1(6)7/h1,3,5-6,10-11H,2,4,7-9,12-14H2;(H,6,7).
What are the key properties of (11-pyrazin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)-thiophen-2-ylmethanone;2,2,2-trifluoroacetic acid?
(11-pyrazin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)-thiophen-2-ylmethanone;2,2,2-trifluoroacetic acid has a molecular weight of 472.49 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (11-pyrazin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)-thiophen-2-ylmethanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155846155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).