3-[3-oxo-3-(2-pyrazin-2-ylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)propyl]oxolan-2-one

C22H25N3O4S — CID 170509154

IUPAC3-[3-oxo-3-(2-pyrazin-2-ylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)propyl]oxolan-2-one
SMILESO=C1OCCC1CCC(=O)N1CCC2(CC1)OCCc1sc(-c3cnccn3)cc12
InChIInChI=1S/C22H25N3O4S/c26-20(2-1-15-3-11-28-21(15)27)25-9-5-22(6-10-25)16-13-19(17-14-23-7-8-24-17)30-18(16)4-12-29-22/h7-8,13-15H,1-6,9-12H2
InChIKeyADUFIPQHZPDMIC-UHFFFAOYSA-N
MW427.53 g/mol
LogP2.94
Rot. Bonds4

About 3-[3-oxo-3-(2-pyrazin-2-ylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)propyl]oxolan-2-one

3-[3-oxo-3-(2-pyrazin-2-ylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)propyl]oxolan-2-one (PubChem CID 170509154) has the molecular formula C22H25N3O4S and a molecular weight of 427.53 g/mol. Its IUPAC name is 3-[3-oxo-3-(2-pyrazin-2-ylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)propyl]oxolan-2-one.

Molecular Properties

Compound Name3-[3-oxo-3-(2-pyrazin-2-ylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)propyl]oxolan-2-one
PubChem CID170509154
Molecular FormulaC22H25N3O4S
Molecular Weight427.53 g/mol
Exact Mass427.16
IUPAC Name3-[3-oxo-3-(2-pyrazin-2-ylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)propyl]oxolan-2-one
SMILESO=C1OCCC1CCC(=O)N1CCC2(CC1)OCCc1sc(-c3cnccn3)cc12
InChIInChI=1S/C22H25N3O4S/c26-20(2-1-15-3-11-28-21(15)27)25-9-5-22(6-10-25)16-13-19(17-14-23-7-8-24-17)30-18(16)4-12-29-22/h7-8,13-15H,1-6,9-12H2
InChIKeyADUFIPQHZPDMIC-UHFFFAOYSA-N
XLogP2.94
TPSA81.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.53
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Related Compounds

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
[(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
[(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
4-[2-(5-methoxy-2-pyridinyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-carbonyl]imidazolidin-2-one
CID 170510068
oxan-4-yl-(2-pyrazin-2-ylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)methanone
CID 170506293
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
2-(dimethylamino)-1-[2-(5-methoxy-2-pyridinyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]ethanone
CID 170505539
(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
1-[2-(6-amino-2-pyridinyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]-2-(oxan-3-yl)ethanone
CID 170512156
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-(6-amino-2-pyridinyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]-2-pyrrolidin-3-ylethanone
CID 170511659
1'-(3-phenoxypropanoyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-carboxylic acid
CID 164691144

Frequently Asked Questions

What is the IUPAC name of 3-[3-oxo-3-(2-pyrazin-2-ylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)propyl]oxolan-2-one?
The IUPAC name of 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) is 3-[3-oxo-3-(2-pyrazin-2-ylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)propyl]oxolan-2-one.
What is the SMILES notation for 3-[3-oxo-3-(2-pyrazin-2-ylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)propyl]oxolan-2-one?
The canonical SMILES for 3-[3-oxo-3-(2-pyrazin-2-ylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)propyl]oxolan-2-one is O=C1OCCC1CCC(=O)N1CCC2(CC1)OCCc1sc(-c3cnccn3)cc12.
What is the InChIKey of 3-[3-oxo-3-(2-pyrazin-2-ylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)propyl]oxolan-2-one?
The InChIKey is ADUFIPQHZPDMIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4S/c26-20(2-1-15-3-11-28-21(15)27)25-9-5-22(6-10-25)16-13-19(17-14-23-7-8-24-17)30-18(16)4-12-29-22/h7-8,13-15H,1-6,9-12H2.
What are the key properties of 3-[3-oxo-3-(2-pyrazin-2-ylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)propyl]oxolan-2-one?
3-[3-oxo-3-(2-pyrazin-2-ylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)propyl]oxolan-2-one has a molecular weight of 427.53 g/mol, XLogP of 2.94, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-oxo-3-(2-pyrazin-2-ylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)propyl]oxolan-2-one is sourced from PubChem (CID 170509154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).