3-[2-oxo-2-(2-pyrazin-2-ylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)ethyl]imidazolidine-2,4-dione

C20H21N5O4S — CID 170505668

IUPAC3-[2-oxo-2-(2-pyrazin-2-ylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)ethyl]imidazolidine-2,4-dione
SMILESO=C(CN1C(=O)CNC1=O)N1CCC2(CC1)OCCc1sc(-c3cnccn3)cc12
InChIInChI=1S/C20H21N5O4S/c26-17-11-23-19(28)25(17)12-18(27)24-6-2-20(3-7-24)13-9-16(14-10-21-4-5-22-14)30-15(13)1-8-29-20/h4-5,9-10H,1-3,6-8,11-12H2,(H,23,28)
InChIKeyJDRYIDMYTACKFF-UHFFFAOYSA-N
MW427.49 g/mol
LogP1.15
Rot. Bonds3

About 3-[2-oxo-2-(2-pyrazin-2-ylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)ethyl]imidazolidine-2,4-dione

3-[2-oxo-2-(2-pyrazin-2-ylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)ethyl]imidazolidine-2,4-dione (PubChem CID 170505668) has the molecular formula C20H21N5O4S and a molecular weight of 427.49 g/mol. Its IUPAC name is 3-[2-oxo-2-(2-pyrazin-2-ylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)ethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-oxo-2-(2-pyrazin-2-ylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)ethyl]imidazolidine-2,4-dione
PubChem CID170505668
Molecular FormulaC20H21N5O4S
Molecular Weight427.49 g/mol
Exact Mass427.13
IUPAC Name3-[2-oxo-2-(2-pyrazin-2-ylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)ethyl]imidazolidine-2,4-dione
SMILESO=C(CN1C(=O)CNC1=O)N1CCC2(CC1)OCCc1sc(-c3cnccn3)cc12
InChIInChI=1S/C20H21N5O4S/c26-17-11-23-19(28)25(17)12-18(27)24-6-2-20(3-7-24)13-9-16(14-10-21-4-5-22-14)30-15(13)1-8-29-20/h4-5,9-10H,1-3,6-8,11-12H2,(H,23,28)
InChIKeyJDRYIDMYTACKFF-UHFFFAOYSA-N
XLogP1.15
TPSA104.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.49
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

Analyze 3-[2-oxo-2-(2-pyrazin-2-ylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)ethyl]imidazolidine-2,4-dione with MolForge

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

Launch Full Analysis

Related Compounds

3-[2-[2-(6-amino-2-pyridinyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 170513315
3-[3-oxo-3-(2-pyrazin-2-ylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)propyl]oxolan-2-one
CID 170509154
[(3aS,6aS)-1,3,4,5,6,6a-hexahydrofuro[3,4-c]pyrrol-3a-yl]-(2-pyrazin-2-ylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)methanone;hydrochloride
CID 171708435
[(1R,6S,8R)-3-azabicyclo[4.2.0]octan-8-yl]-(2-pyrazin-2-ylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)methanone
CID 170503388
2-(3,5-dimethylpyrazol-1-yl)-1-(2-pyrazin-2-ylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)ethanone
CID 170509517
1-[2-(6-amino-2-pyridinyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]-2-(2-methylimidazol-1-yl)ethanone
CID 170507893
2-(dimethylamino)-1-[2-(5-methoxy-2-pyridinyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]ethanone
CID 170505539
3-[2-oxo-2-(4-pyrazin-2-ylpiperidin-1-yl)ethyl]imidazolidine-2,4-dione
CID 110103050
4-(2-pyrazin-2-ylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)-1H-pyrazolo[5,4-d]pyrimidin-6-amine
CID 170512968
1-(2-pyrazin-2-ylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)-2-pyridin-2-ylsulfanylethanone
CID 170502068
(5S)-5-[2-[2-(6-amino-2-pyridinyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]-2-oxoethyl]pyrrolidin-2-one
CID 170506576
6-[2-(5-aminopyrazin-2-yl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-carbonyl]-1H-pyridin-2-one
CID 170508626

Frequently Asked Questions

What is the IUPAC name of 3-[2-oxo-2-(2-pyrazin-2-ylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)ethyl]imidazolidine-2,4-dione?
The IUPAC name of 3-[2-oxo-2-(2-pyrazin-2-ylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)ethyl]imidazolidine-2,4-dione (CID 170505668) is 3-[2-oxo-2-(2-pyrazin-2-ylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)ethyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-oxo-2-(2-pyrazin-2-ylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)ethyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[2-oxo-2-(2-pyrazin-2-ylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)ethyl]imidazolidine-2,4-dione is O=C(CN1C(=O)CNC1=O)N1CCC2(CC1)OCCc1sc(-c3cnccn3)cc12.
What is the InChIKey of 3-[2-oxo-2-(2-pyrazin-2-ylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)ethyl]imidazolidine-2,4-dione?
The InChIKey is JDRYIDMYTACKFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O4S/c26-17-11-23-19(28)25(17)12-18(27)24-6-2-20(3-7-24)13-9-16(14-10-21-4-5-22-14)30-15(13)1-8-29-20/h4-5,9-10H,1-3,6-8,11-12H2,(H,23,28).
What are the key properties of 3-[2-oxo-2-(2-pyrazin-2-ylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)ethyl]imidazolidine-2,4-dione?
3-[2-oxo-2-(2-pyrazin-2-ylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)ethyl]imidazolidine-2,4-dione has a molecular weight of 427.49 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-oxo-2-(2-pyrazin-2-ylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)ethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 170505668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).