4-[2-(5-methoxy-2-pyridinyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-carbonyl]imidazolidin-2-one

C21H24N4O4S — CID 170510068

IUPAC4-[2-(5-methoxy-2-pyridinyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-carbonyl]imidazolidin-2-one
SMILESCOc1ccc(-c2cc3c(s2)CCOC32CCN(C(=O)C3CNC(=O)N3)CC2)nc1
InChIInChI=1S/C21H24N4O4S/c1-28-13-2-3-15(22-11-13)18-10-14-17(30-18)4-9-29-21(14)5-7-25(8-6-21)19(26)16-12-23-20(27)24-16/h2-3,10-11,16H,4-9,12H2,1H3,(H2,23,24,27)
InChIKeyYZGBRWKJIUAGML-UHFFFAOYSA-N
MW428.51 g/mol
LogP1.89
Rot. Bonds3

About 4-[2-(5-methoxy-2-pyridinyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-carbonyl]imidazolidin-2-one

4-[2-(5-methoxy-2-pyridinyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-carbonyl]imidazolidin-2-one (PubChem CID 170510068) has the molecular formula C21H24N4O4S and a molecular weight of 428.51 g/mol. Its IUPAC name is 4-[2-(5-methoxy-2-pyridinyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-carbonyl]imidazolidin-2-one.

Molecular Properties

Compound Name4-[2-(5-methoxy-2-pyridinyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-carbonyl]imidazolidin-2-one
PubChem CID170510068
Molecular FormulaC21H24N4O4S
Molecular Weight428.51 g/mol
Exact Mass428.15
IUPAC Name4-[2-(5-methoxy-2-pyridinyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-carbonyl]imidazolidin-2-one
SMILESCOc1ccc(-c2cc3c(s2)CCOC32CCN(C(=O)C3CNC(=O)N3)CC2)nc1
InChIInChI=1S/C21H24N4O4S/c1-28-13-2-3-15(22-11-13)18-10-14-17(30-18)4-9-29-21(14)5-7-25(8-6-21)19(26)16-12-23-20(27)24-16/h2-3,10-11,16H,4-9,12H2,1H3,(H2,23,24,27)
InChIKeyYZGBRWKJIUAGML-UHFFFAOYSA-N
XLogP1.89
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.51
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(5-methoxy-2-pyridinyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]-[(2S)-oxolan-2-yl]methanone
CID 170508571
2-(dimethylamino)-1-[2-(5-methoxy-2-pyridinyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]ethanone
CID 170505539
[2-(5-methoxy-2-pyridinyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]-(1-methylpyrazol-3-yl)methanone
CID 170507708
[2-(5-methoxy-2-pyridinyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
CID 170503122
5-[2-(5-methoxy-2-pyridinyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-carbonyl]-1H-pyrrole-3-carbonitrile
CID 170513012
1'-[(2,3-dimethylimidazol-4-yl)methyl]-2-(5-methoxy-2-pyridinyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
CID 170506266
[2-(5-aminopyrazin-2-yl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]-[(1S,2S,4R)-7-azabicyclo[2.2.1]heptan-2-yl]methanone
CID 170508219
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
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
[(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
(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
[2-(5-aminopyrazin-2-yl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]-(5-ethyl-4-methyl-1H-pyrazol-3-yl)methanone
CID 170507373

Frequently Asked Questions

What is the IUPAC name of 4-[2-(5-methoxy-2-pyridinyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-carbonyl]imidazolidin-2-one?
The IUPAC name of 4-[2-(5-methoxy-2-pyridinyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-carbonyl]imidazolidin-2-one (CID 170510068) is 4-[2-(5-methoxy-2-pyridinyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-carbonyl]imidazolidin-2-one.
What is the SMILES notation for 4-[2-(5-methoxy-2-pyridinyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-carbonyl]imidazolidin-2-one?
The canonical SMILES for 4-[2-(5-methoxy-2-pyridinyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-carbonyl]imidazolidin-2-one is COc1ccc(-c2cc3c(s2)CCOC32CCN(C(=O)C3CNC(=O)N3)CC2)nc1.
What is the InChIKey of 4-[2-(5-methoxy-2-pyridinyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-carbonyl]imidazolidin-2-one?
The InChIKey is YZGBRWKJIUAGML-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O4S/c1-28-13-2-3-15(22-11-13)18-10-14-17(30-18)4-9-29-21(14)5-7-25(8-6-21)19(26)16-12-23-20(27)24-16/h2-3,10-11,16H,4-9,12H2,1H3,(H2,23,24,27).
What are the key properties of 4-[2-(5-methoxy-2-pyridinyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-carbonyl]imidazolidin-2-one?
4-[2-(5-methoxy-2-pyridinyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-carbonyl]imidazolidin-2-one has a molecular weight of 428.51 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(5-methoxy-2-pyridinyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-carbonyl]imidazolidin-2-one is sourced from PubChem (CID 170510068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).